N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide

C24H31N7O4S — CID 69045443

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

N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 69045443) has the molecular formula C24H31N7O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 69045443
• Molecular Formula: C24H31N7O4S
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.22
• IUPAC Name: N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
• SMILES: COc1ncc(-c2nc(N3CCOCC3)c3sc(CN(C)C(=O)C4CCNCC4)cc3n2)c(OC)n1
• InChI: InChI=1S/C24H31N7O4S/c1-30(23(32)15-4-6-25-7-5-15)14-16-12-18-19(36-16)21(31-8-10-35-11-9-31)28-20(27-18)17-13-26-24(34-3)29-22(17)33-2/h12-13,15,25H,4-11,14H2,1-3H3
• InChIKey: PLSXZLGZVPWIKN-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 114.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 69045443) is N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide.

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

The canonical SMILES for N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide is COc1ncc(-c2nc(N3CCOCC3)c3sc(CN(C)C(=O)C4CCNCC4)cc3n2)c(OC)n1.

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

The InChIKey is PLSXZLGZVPWIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4S/c1-30(23(32)15-4-6-25-7-5-15)14-16-12-18-19(36-16)21(31-8-10-35-11-9-31)28-20(27-18)17-13-26-24(34-3)29-22(17)33-2/h12-13,15,25H,4-11,14H2,1-3H3.

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

N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 69045443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).