6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

C10H10N2O3S — CID 83717353

IUPAC6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C10H10N2O3S/c1-5-7(9(13)14)8(12-10(15)11-5)6-3-2-4-16-6/h2-4,8H,1H3,(H,13,14)(H2,11,12,15)
InChIKeyDMGAEJCVBUFRPM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.46
Rot. Bonds2

About 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 83717353) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID83717353
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C10H10N2O3S/c1-5-7(9(13)14)8(12-10(15)11-5)6-3-2-4-16-6/h2-4,8H,1H3,(H,13,14)(H2,11,12,15)
InChIKeyDMGAEJCVBUFRPM-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl 6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 616931
Ethyl 4-methyl-2-sulfanyl-6-(thiophen-2-yl)-1,6-dihydropyrimidine-5-carboxylate
CID 2732424
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(2-thienyl)-, ethyl ester
CID 332931
2-Methylpropyl 6-methyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 4123186
Propyl 4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3258850
ethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2976275
4-(5-Methoxycarbonyl-4-methyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)butanoic acid
CID 5461573
methyl (6R)-3-ethyl-4-methyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 24789259
2-Methoxyethyl 6-methyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2873908
6-Methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2894630
Methyl 4-methyl-6-(3-methylthiophen-2-yl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
CID 2891970
Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2912334

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (CID 83717353) is 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid is CC1=C(C(=O)O)C(c2cccs2)NC(=O)N1.
What is the InChIKey of 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is DMGAEJCVBUFRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-5-7(9(13)14)8(12-10(15)11-5)6-3-2-4-16-6/h2-4,8H,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid?
6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83717353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).