6-chloro-5-cyclopropylpyrimidin-4-amine

• ChemBase ID: 245773
• Molecular Formular: C7H8ClN3
• Molecular Mass: 169.61152
• Monoisotopic Mass: 169.04067495
• SMILES: c1(C2CC2)c(ncnc1Cl)N
• Canonical SMILES: Nc1ncnc(c1C1CC1)Cl
• InChI: InChI=1S/C7H8ClN3/c8-6-5(4-1-2-4)7(9)11-3-10-6/h3-4H,1-2H2,(H2,9,10,11)
• InChIKey: FXFFIVIQJGJJDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-cyclopropylpyrimidin-4-amine
• IUPAC Traditional name: 6-chloro-5-cyclopropylpyrimidin-4-amine
• Synonyms: 6-chloro-5-cyclopropylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD15146629
• PubChem SID: 164301683
• PubChem CID: 46739895

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4194567
• LogD (pH = 7.4): 1.4207555
• Log P: 1.4207721
• Molar Refractivity: 45.9909 cm^3
• Polarizability: 16.371386 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.078

Product Information

• Purity: 95%