(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C20H27N7O — CID 166285971

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 166285971) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
• PubChem CID: 166285971
• Molecular Formula: C20H27N7O
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.23
• IUPAC Name: (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
• SMILES: Cc1ccc2nc(CNc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)cn2c1
• InChI: InChI=1S/C20H27N7O/c1-14-4-5-19-24-15(10-26(19)9-14)8-21-18-7-20(23-13-22-18)27-12-17(28)6-16(27)11-25(2)3/h4-5,7,9-10,13,16-17,28H,6,8,11-12H2,1-3H3,(H,21,22,23)/t16-,17-/m1/s1
• InChIKey: VLQRSXAPJIFYCW-IAGOWNOFSA-N
• XLogP: 1.55
• TPSA: 81.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 166285971) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is Cc1ccc2nc(CNc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)cn2c1.

What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

The InChIKey is VLQRSXAPJIFYCW-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H27N7O/c1-14-4-5-19-24-15(10-26(19)9-14)8-21-18-7-20(23-13-22-18)27-12-17(28)6-16(27)11-25(2)3/h4-5,7,9-10,13,16-17,28H,6,8,11-12H2,1-3H3,(H,21,22,23)/t16-,17-/m1/s1.

What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 381.48 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 166285971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).