1-(pyrimidin-2-yl)piperidin-3-amine

• ChemBase ID: 259440
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: N1(c2ncccn2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1ncccn1
• InChI: InChI=1S/C9H14N4/c10-8-3-1-6-13(7-8)9-11-4-2-5-12-9/h2,4-5,8H,1,3,6-7,10H2
• InChIKey: OPGDLXLANFEESO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrimidin-2-yl)piperidin-3-amine
• IUPAC Traditional name: 1-(pyrimidin-2-yl)piperidin-3-amine
• Synonyms: 1-(pyrimidin-2-yl)piperidin-3-amine; 1-(2-pyrimidinyl)-3-piperidinamine

Database IDs

• CAS Number: 1146290-25-6
• MDL Number: MFCD11858051
• PubChem SID: 164315350
• PubChem CID: 45075105

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.508207
• LogD (pH = 7.4): -1.856112
• Log P: 0.5051461
• Molar Refractivity: 52.2579 cm^3
• Polarizability: 19.68172 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.73
• LOG S: -0.12
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.412

Product Information

• Purity: 95%