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

C24H31N7O4S — CID 24947046

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

1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24947046) has the molecular formula C24H31N7O4S and a molecular weight of 513.62 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-methylpiperidine-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-methylpiperidine-4-carboxamide
• PubChem CID: 24947046
• Molecular Formula: C24H31N7O4S
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.22
• IUPAC Name: 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
• SMILES: CNC(=O)C1CCN(Cc2cc3nc(N4CCOC(c5cnc(OC)nc5OC)C4)ncc3s2)CC1
• InChI: InChI=1S/C24H31N7O4S/c1-25-21(32)15-4-6-30(7-5-15)13-16-10-18-20(36-16)12-26-23(28-18)31-8-9-35-19(14-31)17-11-27-24(34-3)29-22(17)33-2/h10-12,15,19H,4-9,13-14H2,1-3H3,(H,25,32)
• InChIKey: QKEMSASCOBQTBJ-UHFFFAOYSA-N
• XLogP: 2.03
• 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	2.03
H-Bond Donors ≤ 5	1
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-methylpiperidine-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-methylpiperidine-4-carboxamide (CID 24947046) is 1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-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-methylpiperidine-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-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc3nc(N4CCOC(c5cnc(OC)nc5OC)C4)ncc3s2)CC1.

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-methylpiperidine-4-carboxamide?

The InChIKey is QKEMSASCOBQTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4S/c1-25-21(32)15-4-6-30(7-5-15)13-16-10-18-20(36-16)12-26-23(28-18)31-8-9-35-19(14-31)17-11-27-24(34-3)29-22(17)33-2/h10-12,15,19H,4-9,13-14H2,1-3H3,(H,25,32).

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-methylpiperidine-4-carboxamide?

1-[[2-[2-(2,4-dimethoxypyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 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-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24947046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).