5-amino-6-(dimethylamino)-3,4-dihydropyrimidin-4-one

• ChemBase ID: 237667
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(c(nc[nH]c1=O)N(C)C)N
• Canonical SMILES: CN(c1nc[nH]c(=O)c1N)C
• InChI: InChI=1S/C6H10N4O/c1-10(2)5-4(7)6(11)9-3-8-5/h3H,7H2,1-2H3,(H,8,9,11)
• InChIKey: GDOVKJUKGIMEJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-(dimethylamino)-3,4-dihydropyrimidin-4-one
• IUPAC Traditional name: 5-amino-6-(dimethylamino)-3H-pyrimidin-4-one
• Synonyms: 5-amino-6-(dimethylamino)-3,4-dihydropyrimidin-4-one

Database IDs

• MDL Number: MFCD20703753
• PubChem SID: 164293577
• PubChem CID: 19137009

CALCULATED PROPERTIES

• Acid pKa: 11.402102
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1317917
• LogD (pH = 7.4): -1.1274533
• Log P: -1.1273589
• Molar Refractivity: 51.4894 cm^3
• Polarizability: 15.072492 Å^3
• Polar Surface Area: 70.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): -0.62

Product Information

• Purity: 95%