6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide

C20H17ClN4O2 — CID 109358400

IUPAC6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ncn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-6-7-15(21)9-17(12)25-20(27)18-10-19(23-11-22-18)24-16-5-3-4-14(8-16)13(2)26/h3-11H,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyRWWAUHANLKJYQG-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.64
Rot. Bonds5

About 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide

6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109358400) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109358400
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ncn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-6-7-15(21)9-17(12)25-20(27)18-10-19(23-11-22-18)24-16-5-3-4-14(8-16)13(2)26/h3-11H,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyRWWAUHANLKJYQG-UHFFFAOYSA-N
XLogP4.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
CID 109358414
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109358316
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109358388
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163578
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
methyl 3-[[6-(4-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358245
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide (CID 109358400) is 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ncn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RWWAUHANLKJYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-6-7-15(21)9-17(12)25-20(27)18-10-19(23-11-22-18)24-16-5-3-4-14(8-16)13(2)26/h3-11H,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).