6-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)pyrimidin-4-amine

• ChemBase ID: 716800
• Molecular Formular: C13H15N5O
• Molecular Mass: 257.2911
• Monoisotopic Mass: 257.12766013
• SMILES: c12c(c(nc(n1)C)C)CC(O2)Cc1cc(ncn1)N
• Canonical SMILES: Cc1nc2OC(Cc2c(n1)C)Cc1ncnc(c1)N
• InChI: InChI=1S/C13H15N5O/c1-7-11-5-10(19-13(11)18-8(2)17-7)3-9-4-12(14)16-6-15-9/h4,6,10H,3,5H2,1-2H3,(H2,14,15,16)
• InChIKey: BCTNDDZUIPUXOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)pyrimidin-4-amine
• IUPAC Traditional name: 6-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)pyrimidin-4-amine
• Synonyms: 6-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.79840356
• LogD (pH = 7.4): 1.1786299
• Log P: 1.186006
• Molar Refractivity: 72.1627 cm^3
• Polarizability: 26.352339 Å^3
• Polar Surface Area: 86.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.73
• LOG S: -1.7
• Polar Surface Area: 86.81 Å^2
• Rotatable Bonds: 2