N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

C12H10ClN3O2S — CID 138521421

IUPACN-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O2S/c1-19-12-14-6-7(11(18)16-12)10(17)15-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,15,17)(H,14,16,18)
InChIKeyADRSROWARMKOLC-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.40
Rot. Bonds3

About N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 138521421) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID138521421
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC NameN-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O2S/c1-19-12-14-6-7(11(18)16-12)10(17)15-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,15,17)(H,14,16,18)
InChIKeyADRSROWARMKOLC-UHFFFAOYSA-N
XLogP2.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-6-fluorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138521565
N-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 597991
N-(2-chlorophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913823
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-(2-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443413
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(2-chlorophenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56737934
6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 138521421) is N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ADRSROWARMKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-19-12-14-6-7(11(18)16-12)10(17)15-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 138521421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).