N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide

C17H22N4O3S — CID 97132107

About N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide

N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 97132107) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
• PubChem CID: 97132107
• Molecular Formula: C17H22N4O3S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.14
• IUPAC Name: N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
• SMILES: O=C(NCCN1CCCC[C@@H]1CO)c1cnc(-c2cccs2)[nH]c1=O
• InChI: InChI=1S/C17H22N4O3S/c22-11-12-4-1-2-7-21(12)8-6-18-16(23)13-10-19-15(20-17(13)24)14-5-3-9-25-14/h3,5,9-10,12,22H,1-2,4,6-8,11H2,(H,18,23)(H,19,20,24)/t12-/m1/s1
• InChIKey: RWUBFEXIRRZRJX-GFCCVEGCSA-N
• XLogP: 1.08
• TPSA: 98.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide (CID 97132107) is N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide is O=C(NCCN1CCCC[C@@H]1CO)c1cnc(-c2cccs2)[nH]c1=O.

What is the InChIKey of N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?

The InChIKey is RWUBFEXIRRZRJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-11-12-4-1-2-7-21(12)8-6-18-16(23)13-10-19-15(20-17(13)24)14-5-3-9-25-14/h3,5,9-10,12,22H,1-2,4,6-8,11H2,(H,18,23)(H,19,20,24)/t12-/m1/s1.

What are the key properties of N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide?

N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97132107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).