2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C13H15N3O2S — CID 77087256

IUPAC2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2ccc(C)s2)c(=O)[nH]1
InChIInChI=1S/C13H15N3O2S/c1-8-3-4-10(19-8)5-6-14-12(17)11-7-15-9(2)16-13(11)18/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyBVHMDCVHYRSPHJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.42
Rot. Bonds4

About 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 77087256) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID77087256
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCc2ccc(C)s2)c(=O)[nH]1
InChIInChI=1S/C13H15N3O2S/c1-8-3-4-10(19-8)5-6-14-12(17)11-7-15-9(2)16-13(11)18/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyBVHMDCVHYRSPHJ-UHFFFAOYSA-N
XLogP1.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
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2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
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2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77083299
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851794
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 91776864
N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857421
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72907580
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 131944912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 77087256) is 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCc2ccc(C)s2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BVHMDCVHYRSPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-3-4-10(19-8)5-6-14-12(17)11-7-15-9(2)16-13(11)18/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 77087256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).