2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide

C21H20N4O2 — CID 109315486

IUPAC2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nccc(C(=O)Nc3cccc(C)c3C)n2)c1
InChIInChI=1S/C21H20N4O2/c1-13-6-4-9-18(14(13)2)24-20(27)19-10-11-22-21(25-19)23-17-8-5-7-16(12-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyTZKZSQHRHPLYAP-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.29
Rot. Bonds5

About 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315486) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315486
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nccc(C(=O)Nc3cccc(C)c3C)n2)c1
InChIInChI=1S/C21H20N4O2/c1-13-6-4-9-18(14(13)2)24-20(27)19-10-11-22-21(25-19)23-17-8-5-7-16(12-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyTZKZSQHRHPLYAP-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315471
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
methyl 3-[[4-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314939
methyl 3-[[4-[(2-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109316787
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315486) is 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2nccc(C(=O)Nc3cccc(C)c3C)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is TZKZSQHRHPLYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-6-4-9-18(14(13)2)24-20(27)19-10-11-22-21(25-19)23-17-8-5-7-16(12-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.29, 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-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).