2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid

C14H13N3O3 — CID 71689152

IUPAC2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)O)n2)cc1
InChIInChI=1S/C14H13N3O3/c1-8-7-12(13(19)20)17-14(15-8)16-11-5-3-10(4-6-11)9(2)18/h3-7H,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyCOBPBNCNTDZPFE-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid

2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 71689152) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID71689152
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)O)n2)cc1
InChIInChI=1S/C14H13N3O3/c1-8-7-12(13(19)20)17-14(15-8)16-11-5-3-10(4-6-11)9(2)18/h3-7H,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyCOBPBNCNTDZPFE-UHFFFAOYSA-N
XLogP2.43
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
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-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
1-[4-[[4-(3,5-dimethylanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112928284
2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689168
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336478
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid (CID 71689152) is 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid is CC(=O)c1ccc(Nc2nc(C)cc(C(=O)O)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is COBPBNCNTDZPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-7-12(13(19)20)17-14(15-8)16-11-5-3-10(4-6-11)9(2)18/h3-7H,1-2H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid?
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 71689152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).