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

CAS: 25099-77-8 Cat. No.: P668271 Peso molecular: 160.22 PubChem CID: 408156
Disponible para pedir
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
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
P668271-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
P668271-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (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.

📋

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

Sinónimos
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
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP1.2
Nombres e identificadores
Sonrisas canónicasC1CNC(=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)
Isómeros SMILES C1CNC(=NC1)C2=CC=CC=C2
PubChem CID 408156
Peso molecular 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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazines
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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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
Objetivos asociados (no humanos)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular160.220 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
Calculadoras de soluciones
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