1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide

C25H33N7O4S — CID 67104146

About 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide

1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 67104146) has the molecular formula C25H33N7O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
• PubChem CID: 67104146
• Molecular Formula: C25H33N7O4S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.23
• IUPAC Name: 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
• SMILES: COc1ncc(C2CN(c3ncc4sc(CN5CCC(C(=O)N(C)C)CC5)cc4n3)CCO2)c(OC)n1
• InChI: InChI=1S/C25H33N7O4S/c1-30(2)23(33)16-5-7-31(8-6-16)14-17-11-19-21(37-17)13-26-24(28-19)32-9-10-36-20(15-32)18-12-27-25(35-4)29-22(18)34-3/h11-13,16,20H,5-10,14-15H2,1-4H3
• InChIKey: PVPYLFNPQBDBSN-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 106.04 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?

The IUPAC name of 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 67104146) is 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?

The canonical SMILES for 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide is COc1ncc(C2CN(c3ncc4sc(CN5CCC(C(=O)N(C)C)CC5)cc4n3)CCO2)c(OC)n1.

What is the InChIKey of 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?

The InChIKey is PVPYLFNPQBDBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O4S/c1-30(2)23(33)16-5-7-31(8-6-16)14-17-11-19-21(37-17)13-26-24(28-19)32-9-10-36-20(15-32)18-12-27-25(35-4)29-22(18)34-3/h11-13,16,20H,5-10,14-15H2,1-4H3.

What are the key properties of 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?

1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 527.65 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 67104146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).