4-(aminomethyl)-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 247208
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c1(nc(ccn1)CN)N(C)C
• Canonical SMILES: NCc1ccnc(n1)N(C)C
• InChI: InChI=1S/C7H12N4/c1-11(2)7-9-4-3-6(5-8)10-7/h3-4H,5,8H2,1-2H3
• InChIKey: XOJJJWYQJNYAKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
• Synonyms: 4-(aminomethyl)-N,N-dimethylpyrimidin-2-amine

Database IDs

• MDL Number: MFCD10697044
• PubChem SID: 164303118
• PubChem CID: 62747375

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6657276
• LogD (pH = 7.4): -1.0735978
• Log P: 0.043805663
• Molar Refractivity: 45.0481 cm^3
• Polarizability: 16.724115 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.454

Product Information

• Purity: 95%; 98%