N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine

• ChemBase ID: 267512
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: c1(c2c(ncn1)CCNC2)N(C)C
• Canonical SMILES: CN(c1ncnc2c1CNCC2)C
• InChI: InChI=1S/C9H14N4/c1-13(2)9-7-5-10-4-3-8(7)11-6-12-9/h6,10H,3-5H2,1-2H3
• InChIKey: XCVYBHZBTJHKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine

Database IDs

• MDL Number: MFCD17976977
• PubChem SID: 164323422
• PubChem CID: 50988943

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1986864
• LogD (pH = 7.4): -0.46151286
• Log P: 0.3802976
• Molar Refractivity: 53.4442 cm^3
• Polarizability: 19.595146 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.047

Product Information

• Purity: 95%