N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109357249

IUPACN-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C19H17ClN4O/c1-2-13-5-3-4-6-16(13)24-18-11-17(21-12-22-18)19(25)23-15-9-7-14(20)8-10-15/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyABGDXMZZSNITGY-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.69
Rot. Bonds5

About N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide

N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357249) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357249
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C19H17ClN4O/c1-2-13-5-3-4-6-16(13)24-18-11-17(21-12-22-18)19(25)23-15-9-7-14(20)8-10-15/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyABGDXMZZSNITGY-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[6-(2-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357274
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109357289
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355880
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357824

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide (CID 109357249) is N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)Nc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is ABGDXMZZSNITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-2-13-5-3-4-6-16(13)24-18-11-17(21-12-22-18)19(25)23-15-9-7-14(20)8-10-15/h3-12H,2H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).