N2,N2-dimethyl-N4-[2-(1-methylpyrrolidin-2-yl)ethyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine

• ChemBase ID: 756721
• Molecular Formular: C16H28N6
• Molecular Mass: 304.43372
• Monoisotopic Mass: 304.23754493
• SMILES: n1c(nc2c(c1NCCC1N(CCC1)C)CCNC2)N(C)C
• Canonical SMILES: CN1CCCC1CCNc1nc(nc2c1CCNC2)N(C)C
• InChI: InChI=1S/C16H28N6/c1-21(2)16-19-14-11-17-8-7-13(14)15(20-16)18-9-6-12-5-4-10-22(12)3/h12,17H,4-11H2,1-3H3,(H,18,19,20)
• InChIKey: VKZFVSOURFUIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2-dimethyl-N4-[2-(1-methylpyrrolidin-2-yl)ethyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2-dimethyl-N4-[2-(1-methylpyrrolidin-2-yl)ethyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~-dimethyl-N~4~-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -4.5315924
• LogD (pH = 7.4): -1.4437397
• Log P: 1.127679
• Molar Refractivity: 93.7353 cm^3
• Polarizability: 34.425472 Å^3
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.82
• LOG S: -1.97
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 5