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

C14H14ClN3O — CID 75538748

IUPAC6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Cl)nc(C)n1
InChIInChI=1S/C14H14ClN3O/c1-3-10-6-4-5-7-11(10)18-14(19)12-8-13(15)17-9(2)16-12/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyHNKJXUGMCPKJKB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.25
Rot. Bonds3

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

6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 75538748) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID75538748
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Cl)nc(C)n1
InChIInChI=1S/C14H14ClN3O/c1-3-10-6-4-5-7-11(10)18-14(19)12-8-13(15)17-9(2)16-12/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyHNKJXUGMCPKJKB-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

2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848484
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109367760
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 75538748) is 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HNKJXUGMCPKJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-10-6-4-5-7-11(10)18-14(19)12-8-13(15)17-9(2)16-12/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-chloro-N-(2-ethylphenyl)-2-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 6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 75538748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).