2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide

C18H18N4O2S — CID 135960467

IUPAC2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC(C)c1cccs1
InChIInChI=1S/C18H18N4O2S/c1-11-13(10-16(23)20-12(2)15-7-5-9-25-15)18(24)22-17(21-11)14-6-3-4-8-19-14/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyPMRRCLKOJQQSFB-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 135960467) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID135960467
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC(C)c1cccs1
InChIInChI=1S/C18H18N4O2S/c1-11-13(10-16(23)20-12(2)15-7-5-9-25-15)18(24)22-17(21-11)14-6-3-4-8-19-14/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyPMRRCLKOJQQSFB-UHFFFAOYSA-N
XLogP2.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 136872605
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 136872611
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135960543
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136727792
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 99621957
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682
[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate
CID 136697436
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135977009

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 135960467) is 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is PMRRCLKOJQQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-13(10-16(23)20-12(2)15-7-5-9-25-15)18(24)22-17(21-11)14-6-3-4-8-19-14/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 135960467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).