1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol

C19H28N6O2 — CID 119071470

About 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol

1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol (PubChem CID 119071470) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol.

Molecular Properties

• Compound Name: 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
• PubChem CID: 119071470
• Molecular Formula: C19H28N6O2
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.23
• IUPAC Name: 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
• SMILES: CN(CCCc1nccn1C)c1cc(C2CCOC2)nc(N2CC(O)C2)n1
• InChI: InChI=1S/C19H28N6O2/c1-23(7-3-4-17-20-6-8-24(17)2)18-10-16(14-5-9-27-13-14)21-19(22-18)25-11-15(26)12-25/h6,8,10,14-15,26H,3-5,7,9,11-13H2,1-2H3
• InChIKey: WEJZTCMFIMBYGC-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 79.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

The IUPAC name of 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol (CID 119071470) is 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol.

What is the SMILES notation for 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

The canonical SMILES for 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol is CN(CCCc1nccn1C)c1cc(C2CCOC2)nc(N2CC(O)C2)n1.

What is the InChIKey of 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

The InChIKey is WEJZTCMFIMBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-23(7-3-4-17-20-6-8-24(17)2)18-10-16(14-5-9-27-13-14)21-19(22-18)25-11-15(26)12-25/h6,8,10,14-15,26H,3-5,7,9,11-13H2,1-2H3.

What are the key properties of 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol has a molecular weight of 372.47 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 119071470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).