2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide

C20H18N4O2 — CID 109334677

IUPAC2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H18N4O2/c1-13-12-18(19(26)22-16-6-4-3-5-7-16)24-20(21-13)23-17-10-8-15(9-11-17)14(2)25/h3-12H,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyYQDCJDRKWBFQOR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide

2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109334677) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109334677
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H18N4O2/c1-13-12-18(19(26)22-16-6-4-3-5-7-16)24-20(21-13)23-17-10-8-15(9-11-17)14(2)25/h3-12H,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyYQDCJDRKWBFQOR-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689152
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337194

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide (CID 109334677) is 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is YQDCJDRKWBFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-12-18(19(26)22-16-6-4-3-5-7-16)24-20(21-13)23-17-10-8-15(9-11-17)14(2)25/h3-12H,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).