2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide

C14H14ClN3O — CID 114219422

IUPAC2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c1-3-10-6-4-5-7-11(10)17-13(19)12-8-9(2)16-14(15)18-12/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyPSJWLRKFNUJWHN-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219422) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219422
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c1-3-10-6-4-5-7-11(10)17-13(19)12-8-9(2)16-14(15)18-12/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyPSJWLRKFNUJWHN-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114251501
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
N-(2-ethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327829
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
N-(2-ethylphenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109336259
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329270
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 114219422) is 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PSJWLRKFNUJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-10-6-4-5-7-11(10)17-13(19)12-8-9(2)16-14(15)18-12/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).