(6R)-4-methyl-6-(prop-1-en-2-yl)-5H,6H,7H-cyclopenta[d]pyrimidine

• ChemBase ID: 185654
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: c12c(C[C@@H](C1)C(=C)C)ncnc2C
• Canonical SMILES: CC(=C)[C@@H]1Cc2c(C1)ncnc2C
• InChI: InChI=1S/C11H14N2/c1-7(2)9-4-10-8(3)12-6-13-11(10)5-9/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1
• InChIKey: CVGMHBIZJRQQCE-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-4-methyl-6-(prop-1-en-2-yl)-5H,6H,7H-cyclopenta[d]pyrimidine
• IUPAC Traditional name: (6R)-4-methyl-6-(prop-1-en-2-yl)-5H,6H,7H-cyclopenta[d]pyrimidine

Database IDs

• PubChem SID: 164241564
• PubChem CID: 7077158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7327411
• LogD (pH = 7.4): 1.7336565
• Log P: 1.7336682
• Molar Refractivity: 53.2469 cm^3
• Polarizability: 20.23084 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds