N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide

C7H9N3O4S — CID 133056015

IUPACN-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(=O)[nH]c1S(C)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-8-5(11)4-3-9-7(12)10-6(4)15(2,13)14/h3H,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyRSDPECFIJJEXID-UHFFFAOYSA-N
MW231.23 g/mol
LogP-1.47
Rot. Bonds2

About N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide

N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 133056015) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID133056015
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC NameN-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(=O)[nH]c1S(C)(=O)=O
InChIInChI=1S/C7H9N3O4S/c1-8-5(11)4-3-9-7(12)10-6(4)15(2,13)14/h3H,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyRSDPECFIJJEXID-UHFFFAOYSA-N
XLogP-1.47
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
CID 133057501
6-amino-N,4-dimethylpyridine-3-carboxamide
CID 131967585
2-methylsulfonyl-8H-pyrimido[4,5-d]pyrimidin-7-one
CID 141021243
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
N-methyl-4,6-bis(methylamino)pyridine-3-carboxamide
CID 118473539
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
5-hydroxy-6-methyl-1H-pyrimidin-2-one
CID 158606777
6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
CID 82075087
6-amino-5-(2,2-dimethylpropanoyl)-1H-pyrimidin-2-one
CID 82076034
5-chloro-N-methyl-1H-imidazole-2-carboxamide
CID 166893313
2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56825968

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 133056015) is N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide is CNC(=O)c1cnc(=O)[nH]c1S(C)(=O)=O.
What is the InChIKey of N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RSDPECFIJJEXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-8-5(11)4-3-9-7(12)10-6(4)15(2,13)14/h3H,1-2H3,(H,8,11)(H,9,10,12).
What are the key properties of N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 231.23 g/mol, XLogP of -1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfonyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 133056015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).