N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide

C13H12ClN3O — CID 47255494

IUPACN-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H12ClN3O/c1-8-3-4-10(14)7-12(8)17-13(18)11-5-6-15-9(2)16-11/h3-7H,1-2H3,(H,17,18)
InChIKeyHOZYYNGXTWVBOA-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.00
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 47255494) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID47255494
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H12ClN3O/c1-8-3-4-10(14)7-12(8)17-13(18)11-5-6-15-9(2)16-11/h3-7H,1-2H3,(H,17,18)
InChIKeyHOZYYNGXTWVBOA-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
2-(2,5-dichloroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314955
2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid
CID 146127196
2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109317161
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201602
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide (CID 47255494) is N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HOZYYNGXTWVBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-3-4-10(14)7-12(8)17-13(18)11-5-6-15-9(2)16-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 47255494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).