7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine - ≥95% , CAS No.7752-54-7

CAS: 7752-54-7 Cat. No.: M634524 Molecular Weight: 148.17 EC Number: 866-252-6 PubChem CID: 265827

GRADE & PURITY ≥95%

Synonyms

DTXSID40295498 | NSC102338 | NSC-102338 | SCHEMBL10051003 | EN300-2960323 | 7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, AldrichCPR | 4-Amino-7-methylpyrrolo[2,3-d]pyrimidine | AKOS006339947 | W4S | SB14122 | 7-methylpyrrolo[2,3-d]pyrimidin-4-amine | SY25

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DTXSID40295498 | NSC102338 | NSC-102338 | SCHEMBL10051003 | EN300-2960323 | 7-Methyl-7H-pyrrolo[2, 3-d]pyrimidin-4-amine, AldrichCPR | 4-Amino-7-methylpyrrolo[2, 3-d]pyrimidine | AKOS006339947 | W4S | SB14122 | 7-methylpyrrolo[2, 3-d]pyrimidin-4-amine | SY25

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN1C=CC2=C(N=CN=C21)N
• IUPAC Name: 7-methylpyrrolo[2,3-d]pyrimidin-4-amine
• InChIKey: KSOREMDAQHJJKY-UHFFFAOYSA-N
• INCHI: 1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)
• Isomeric SMILES: CN1C=CC2=C(N=CN=C21)N
• Alternate CAS: 7752-54-7
• PubChem CID: 265827
• NSC Number: 102338
• Molecular Weight: 148.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Aminopyrimidines and derivatives N-methylpyrroles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - N-methylpyrrole - Pyrimidine - Imidolactam - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 148.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.075 Da
• Monoisotopic Mass: 148.075 Da
• Topological Polar Surface Area: 56.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1