methyl[1-(pyrimidin-4-yl)ethyl]amine

• ChemBase ID: 310438
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(C(NC)C)ccnc1
• Canonical SMILES: CNC(c1ccncn1)C
• InChI: InChI=1S/C7H11N3/c1-6(8-2)7-3-4-9-5-10-7/h3-6,8H,1-2H3
• InChIKey: PEBCUFKRRNOSIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyrimidin-4-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(pyrimidin-4-yl)ethyl]amine
• Synonyms: N-methyl-1-pyrimidin-4-ylethanamine

Database IDs

• MDL Number: MFCD09055386

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3732033
• LogD (pH = 7.4): -0.64963406
• Log P: 0.25832042
• Molar Refractivity: 39.942 cm^3
• Polarizability: 15.585027 Å^3
• Polar Surface Area: 37.81 Å^2