6-amino-2-(2-aminoethyl)pyrimidin-4-ol

• ChemBase ID: 307042
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1c(nc(cc1N)O)CCN
• Canonical SMILES: NCCc1nc(N)cc(n1)O
• InChI: InChI=1S/C6H10N4O/c7-2-1-5-9-4(8)3-6(11)10-5/h3H,1-2,7H2,(H3,8,9,10,11)
• InChIKey: QUMHQEBSSOVRLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-(2-aminoethyl)pyrimidin-4-ol
• IUPAC Traditional name: 6-amino-2-(2-aminoethyl)pyrimidin-4-ol
• Synonyms: 6-amino-2-(2-aminoethyl)pyrimidin-4-ol

Database IDs

• CAS Number: 936940-35-1
• MDL Number: MFCD09055286

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.1022098
• LogD (pH = 7.4): -1.9451793
• Log P: 0.028596641
• Molar Refractivity: 42.7141 cm^3
• Polarizability: 15.445603 Å^3
• Polar Surface Area: 98.05 Å^2