N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide

C14H15ClN4OS — CID 118164542

IUPACN-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCNc1nc(SC)ncc1C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C14H15ClN4OS/c1-8-5-4-6-10(15)11(8)18-13(20)9-7-17-14(21-3)19-12(9)16-2/h4-7H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyNPMLCZXFQQYCAP-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.45
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide

N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 118164542) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID118164542
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC NameN-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCNc1nc(SC)ncc1C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C14H15ClN4OS/c1-8-5-4-6-10(15)11(8)18-13(20)9-7-17-14(21-3)19-12(9)16-2/h4-7H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyNPMLCZXFQQYCAP-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913742
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913659
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
N-(2-chloro-6-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81442693
4-chloro-2-methylsulfanyl-N-(2,4,6-trichlorophenyl)pyrimidine-5-carboxamide
CID 155195547
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide (CID 118164542) is N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide is CNc1nc(SC)ncc1C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is NPMLCZXFQQYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-8-5-4-6-10(15)11(8)18-13(20)9-7-17-14(21-3)19-12(9)16-2/h4-7H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 118164542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).