N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide

C15H16N4O2S — CID 131905172

IUPACN-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cnc(SC)nc2)c(C)c1
InChIInChI=1S/C15H16N4O2S/c1-9-6-10(13(20)16-2)4-5-12(9)19-14(21)11-7-17-15(22-3)18-8-11/h4-8H,1-3H3,(H,16,20)(H,19,21)
InChIKeySMAPABFGFNUVQH-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.12
Rot. Bonds4

About N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 131905172) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID131905172
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cnc(SC)nc2)c(C)c1
InChIInChI=1S/C15H16N4O2S/c1-9-6-10(13(20)16-2)4-5-12(9)19-14(21)11-7-17-15(22-3)18-8-11/h4-8H,1-3H3,(H,16,20)(H,19,21)
InChIKeySMAPABFGFNUVQH-UHFFFAOYSA-N
XLogP2.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 63860452
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 131905172) is N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide is CNC(=O)c1ccc(NC(=O)c2cnc(SC)nc2)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is SMAPABFGFNUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-6-10(13(20)16-2)4-5-12(9)19-14(21)11-7-17-15(22-3)18-8-11/h4-8H,1-3H3,(H,16,20)(H,19,21).
What are the key properties of N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 131905172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).