2-(2-aminoethyl)pyrimidin-4-amine

• ChemBase ID: 803845
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1c(nc(nc1)CCN)N
• Canonical SMILES: NCCc1nccc(n1)N
• InChI: InChI=1S/C6H10N4/c7-3-1-6-9-4-2-5(8)10-6/h2,4H,1,3,7H2,(H2,8,9,10)
• InChIKey: ZWXRORDTIFUIBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)pyrimidin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)pyrimidin-4-amine
• Synonyms: 2-(2-AMINOETHYL)PYRIMIDIN-4-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.5165858
• LogD (pH = 7.4): -2.3117795
• Log P: -0.3183279
• Molar Refractivity: 40.4197 cm^3
• Polarizability: 14.808119 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%