N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide

C12H13N3O2S — CID 121121088

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cncn(CCNC(=O)c2cccs2)c1=O
InChIInChI=1S/C12H13N3O2S/c1-9-7-13-8-15(12(9)17)5-4-14-11(16)10-3-2-6-18-10/h2-3,6-8H,4-5H2,1H3,(H,14,16)
InChIKeySPPYHHNWPONRFV-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 121121088) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID121121088
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cncn(CCNC(=O)c2cccs2)c1=O
InChIInChI=1S/C12H13N3O2S/c1-9-7-13-8-15(12(9)17)5-4-14-11(16)10-3-2-6-18-10/h2-3,6-8H,4-5H2,1H3,(H,14,16)
InChIKeySPPYHHNWPONRFV-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-nitrobenzamide
CID 121121235
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
CID 121121015
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 121121310
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121395

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide (CID 121121088) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide is Cc1cncn(CCNC(=O)c2cccs2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SPPYHHNWPONRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-9-7-13-8-15(12(9)17)5-4-14-11(16)10-3-2-6-18-10/h2-3,6-8H,4-5H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121121088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).