1-(pyrimidin-4-yl)azetidin-3-amine hydrochloride

• ChemBase ID: 236161
• Molecular Formular: C7H11ClN4
• Molecular Mass: 186.64204
• Monoisotopic Mass: 186.06722405
• SMILES: N1(c2ncncc2)CC(C1)N.Cl
• Canonical SMILES: NC1CN(C1)c1ccncn1.Cl
• InChI: InChI=1S/C7H10N4.ClH/c8-6-3-11(4-6)7-1-2-9-5-10-7;/h1-2,5-6H,3-4,8H2;1H
• InChIKey: NRAWNKJYUMSYQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrimidin-4-yl)azetidin-3-amine hydrochloride
• IUPAC Traditional name: 1-(pyrimidin-4-yl)azetidin-3-amine hydrochloride
• Synonyms: 1-(pyrimidin-4-yl)azetidin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22196529
• PubChem SID: 164292071
• PubChem CID: 71755650

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2919245
• LogD (pH = 7.4): -1.9613174
• Log P: -0.15650484
• Molar Refractivity: 43.1154 cm^3
• Polarizability: 15.9980545 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.375

Product Information

• Purity: 95%