3-[4-(dimethoxymethyl)pyrimidin-2-yl]propan-1-amine

• ChemBase ID: 803692
• Molecular Formular: C10H17N3O2
• Molecular Mass: 211.26088
• Monoisotopic Mass: 211.1320768
• SMILES: C(CCc1nc(ccn1)C(OC)OC)N
• Canonical SMILES: NCCCc1nccc(n1)C(OC)OC
• InChI: InChI=1S/C10H17N3O2/c1-14-10(15-2)8-5-7-12-9(13-8)4-3-6-11/h5,7,10H,3-4,6,11H2,1-2H3
• InChIKey: KWBVRMUHNCUICM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(dimethoxymethyl)pyrimidin-2-yl]propan-1-amine
• IUPAC Traditional name: 3-[4-(dimethoxymethyl)pyrimidin-2-yl]propan-1-amine
• Synonyms: 3-[4-(DIMETHOXYMETHYL)PYRIMIDIN-2-YL]PROPAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.844378
• LogD (pH = 7.4): -2.1913126
• Log P: 0.34854743
• Molar Refractivity: 57.1553 cm^3
• Polarizability: 22.42598 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%