9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 472103
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: N1(c2cc(ncn2)C)CC2(N(CC1)C)CCN(C(=O)CC2)CC1CC1
• Canonical SMILES: Cc1ncnc(c1)N1CCN(C2(C1)CCC(=O)N(CC2)CC1CC1)C
• InChI: InChI=1S/C19H29N5O/c1-15-11-17(21-14-20-15)24-10-9-22(2)19(13-24)6-5-18(25)23(8-7-19)12-16-3-4-16/h11,14,16H,3-10,12-13H2,1-2H3
• InChIKey: BGULWRSYDXHVKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.8885816
• LogD (pH = 7.4): 0.20635591
• Log P: 1.0273412
• Molar Refractivity: 99.6588 cm^3
• Polarizability: 37.77045 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.65
• LOG S: -3.11
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3