2-Phenyl-1,4,5,6-tetrahydropyrimidine , CAS No.25099-77-8

CAS: 25099-77-8 Cat. No.: P668271 Molecular Weight: 160.22 PubChem CID: 408156
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Synonyms
2-phenyl-1,4,5,6-tetrahydropyrimidine | Pyrimidine, 1,4,5,6-tetrahydro-2-phenyl- | 2-Phenyl-1,4,5,6-tetrahydro-pyrimidine | MLS000056897 | DTXSID50328221 | HMS1775H17 | HMS2489G09 | BDBM50473148 | AKOS008031092 | SMR000065492 | EN300-78026 | Z57932430
Storage
Room temperature
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Size
Status
Price
Qty
1mg
P668271-1mg
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$571.90

$999.90
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5mg
P668271-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-phenyl-1, 4, 5, 6-tetrahydropyrimidine | Pyrimidine, 1, 4, 5, 6-tetrahydro-2-phenyl- | 2-Phenyl-1, 4, 5, 6-tetrahydro-pyrimidine | MLS000056897 | DTXSID50328221 | HMS1775H17 | HMS2489G09 | BDBM50473148 | AKOS008031092 | SMR000065492 | EN300-78026 | Z57932430
Storage
Room temperature
Product Properties
ALogP1.2
Names and Identifiers
Canonical SmilesC1CNC(=NC1)C2=CC=CC=C2
IUPAC Name2-phenyl-1,4,5,6-tetrahydropyrimidine
InChIKeyMNLNQEMXGZMOEI-UHFFFAOYSA-N
INCHI1S/C10H12N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6H,4,7-8H2,(H,11,12)
Isomeric SMILES C1CNC(=NC1)C2=CC=CC=C2
PubChem CID 408156
Molecular Weight 160.22

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentHydropyrimidines
Alternative Parents Imidolactams  Benzene and substituted derivatives  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Carboxamidines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Imidolactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Carboximidamide - Amidine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NISCH Tclin Nischarin (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NISCH Tclin Nischarin (304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight160.220 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass160.1 Da
Monoisotopic Mass160.1 Da
Topological Polar Surface Area24.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity169.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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