2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C14H14ClN3O — CID 114219413

IUPAC2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(Cl)n2)c(C)c1
InChIInChI=1S/C14H14ClN3O/c1-8-4-5-11(9(2)6-8)17-13(19)12-7-10(3)16-14(15)18-12/h4-7H,1-3H3,(H,17,19)
InChIKeySTDOYMMCVAGBGM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.31
Rot. Bonds2

About 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219413) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219413
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(Cl)n2)c(C)c1
InChIInChI=1S/C14H14ClN3O/c1-8-4-5-11(9(2)6-8)17-13(19)12-7-10(3)16-14(15)18-12/h4-7H,1-3H3,(H,17,19)
InChIKeySTDOYMMCVAGBGM-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114251501
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109335215
2-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335672
2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326599
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
methyl 4-[[4-[(2,4-dimethylphenyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109335692
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
N-(2,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 114219413) is 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(Cl)n2)c(C)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is STDOYMMCVAGBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-4-5-11(9(2)6-8)17-13(19)12-7-10(3)16-14(15)18-12/h4-7H,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).