9-(cyclopropylmethyl)-4-[4-(dimethylamino)pyrimidin-2-yl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 326983
• Molecular Formular: C20H32N6O
• Molecular Mass: 372.50768
• Monoisotopic Mass: 372.26375967
• SMILES: n1c(N2CC3(N(CC2)C)CCN(C(=O)CC3)CC2CC2)nccc1N(C)C
• Canonical SMILES: CN(c1ccnc(n1)N1CCN(C2(C1)CCC(=O)N(CC2)CC1CC1)C)C
• InChI: InChI=1S/C20H32N6O/c1-23(2)17-7-10-21-19(22-17)26-13-12-24(3)20(15-26)8-6-18(27)25(11-9-20)14-16-4-5-16/h7,10,16H,4-6,8-9,11-15H2,1-3H3
• InChIKey: FAZGVHJNAMQNIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-4-[4-(dimethylamino)pyrimidin-2-yl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-4-[4-(dimethylamino)pyrimidin-2-yl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-4-[4-(dimethylamino)pyrimidin-2-yl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.2353125
• LogD (pH = 7.4): 0.9423061
• Log P: 1.6828009
• Molar Refractivity: 109.4419 cm^3
• Polarizability: 40.831577 Å^3
• Polar Surface Area: 55.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.13
• LOG S: -4.59
• Polar Surface Area: 55.81 Å^2
• Rotatable Bonds: 4