N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H20N6O2S — CID 137287016

About N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 137287016) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
• PubChem CID: 137287016
• Molecular Formula: C18H20N6O2S
• Molecular Weight: 384.47 g/mol
• Exact Mass: 384.14
• IUPAC Name: N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
• SMILES: CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCCN(c2ncccn2)C1
• InChI: InChI=1S/C18H20N6O2S/c1-23(11-14-21-13-5-9-27-15(13)16(25)22-14)17(26)12-4-2-8-24(10-12)18-19-6-3-7-20-18/h3,5-7,9,12H,2,4,8,10-11H2,1H3,(H,21,22,25)
• InChIKey: GFMAXYXQBHEZMB-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 95.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.47
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

The IUPAC name of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 137287016) is N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCCN(c2ncccn2)C1.

What is the InChIKey of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

The InChIKey is GFMAXYXQBHEZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-23(11-14-21-13-5-9-27-15(13)16(25)22-14)17(26)12-4-2-8-24(10-12)18-19-6-3-7-20-18/h3,5-7,9,12H,2,4,8,10-11H2,1H3,(H,21,22,25).

What are the key properties of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?

N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 137287016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).