4-chloropyrido[2,3-d]pyrimidin-7-amine

• ChemBase ID: 241353
• Molecular Formular: C7H5ClN4
• Molecular Mass: 180.5944
• Monoisotopic Mass: 180.02027386
• SMILES: c12nc(ccc1c(ncn2)Cl)N
• Canonical SMILES: Nc1ccc2c(n1)ncnc2Cl
• InChI: InChI=1S/C7H5ClN4/c8-6-4-1-2-5(9)12-7(4)11-3-10-6/h1-3H,(H2,9,10,11,12)
• InChIKey: UWJFEIGJUKIOPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyrido[2,3-d]pyrimidin-7-amine
• IUPAC Traditional name: 4-chloropyrido[2,3-d]pyrimidin-7-amine
• Synonyms: 4-chloropyrido[2,3-d]pyrimidin-7-amine

Database IDs

• MDL Number: MFCD20258067
• PubChem SID: 164297263
• PubChem CID: 71756769

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1221223
• LogD (pH = 7.4): 1.1221478
• Log P: 1.122148
• Molar Refractivity: 49.0964 cm^3
• Polarizability: 17.594835 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.708

Product Information

• Purity: 95%