N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide

C13H15N3O2S — CID 137108586

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-7-13(18)16-11(15-9)4-5-14-12(17)8-10-3-2-6-19-10/h2-3,6-7H,4-5,8H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyHRCGXMIBOROHJW-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 137108586) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID137108586
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-7-13(18)16-11(15-9)4-5-14-12(17)8-10-3-2-6-19-10/h2-3,6-7H,4-5,8H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyHRCGXMIBOROHJW-UHFFFAOYSA-N
XLogP1.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 137021878
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 137021852
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110791177
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108542025
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110415481

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide (CID 137108586) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide is Cc1cc(=O)[nH]c(CCNC(=O)Cc2cccs2)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is HRCGXMIBOROHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-13(18)16-11(15-9)4-5-14-12(17)8-10-3-2-6-19-10/h2-3,6-7H,4-5,8H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 137108586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).