N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide

C21H20N4O2 — CID 109315686

IUPACN-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-3-15-4-8-18(9-5-15)24-21-22-13-12-19(25-21)20(27)23-17-10-6-16(7-11-17)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyRLQVXVNBIGGWJN-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.24
Rot. Bonds6

About N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315686) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315686
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-3-15-4-8-18(9-5-15)24-21-22-13-12-19(25-21)20(27)23-17-10-6-16(7-11-17)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyRLQVXVNBIGGWJN-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide (CID 109315686) is N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide is CCc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is RLQVXVNBIGGWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-15-4-8-18(9-5-15)24-21-22-13-12-19(25-21)20(27)23-17-10-6-16(7-11-17)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).