2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide

C20H17ClN4O2 — CID 109337165

IUPAC2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-10-18(19(27)23-16-8-6-15(21)7-9-16)25-20(22-12)24-17-5-3-4-14(11-17)13(2)26/h3-11H,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyMLOGCLXEHFDWBP-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.64
Rot. Bonds5

About 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337165) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337165
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-10-18(19(27)23-16-8-6-15(21)7-9-16)25-20(22-12)24-17-5-3-4-14(11-17)13(2)26/h3-11H,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyMLOGCLXEHFDWBP-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-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
methyl 4-[[2-(3-chloroanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109337055
2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109336526
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109337165) is 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2nc(C)cc(C(=O)Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MLOGCLXEHFDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-10-18(19(27)23-16-8-6-15(21)7-9-16)25-20(22-12)24-17-5-3-4-14(11-17)13(2)26/h3-11H,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-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 2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).