5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol

C20H27ClN6O3 — CID 171661024

About 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol

5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171661024) has the molecular formula C20H27ClN6O3 and a molecular weight of 434.93 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

• Compound Name: 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
• PubChem CID: 171661024
• Molecular Formula: C20H27ClN6O3
• Molecular Weight: 434.93 g/mol
• Exact Mass: 434.18
• IUPAC Name: 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
• SMILES: COc1nc(-c2nc(N)ncc2Cl)cc2c1nc(C)n2C(C)C.OC1CCCOC1
• InChI: InChI=1S/C15H17ClN6O.C5H10O2/c1-7(2)22-8(3)19-13-11(22)5-10(20-14(13)23-4)12-9(16)6-18-15(17)21-12;6-5-2-1-3-7-4-5/h5-7H,1-4H3,(H2,17,18,21);5-6H,1-4H2
• InChIKey: RBFLYMLMKMHERJ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 121.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.93
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol?

The IUPAC name of 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol (CID 171661024) is 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol.

What is the SMILES notation for 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol?

The canonical SMILES for 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol is COc1nc(-c2nc(N)ncc2Cl)cc2c1nc(C)n2C(C)C.OC1CCCOC1.

What is the InChIKey of 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol?

The InChIKey is RBFLYMLMKMHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O.C5H10O2/c1-7(2)22-8(3)19-13-11(22)5-10(20-14(13)23-4)12-9(16)6-18-15(17)21-12;6-5-2-1-3-7-4-5/h5-7H,1-4H3,(H2,17,18,21);5-6H,1-4H2.

What are the key properties of 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol?

5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 434.93 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171661024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).