N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide

C23H24N4O2 — CID 109316255

IUPACN-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C23H24N4O2/c1-4-16-7-6-8-17(5-2)21(16)27-23-24-14-13-20(26-23)22(29)25-19-11-9-18(10-12-19)15(3)28/h6-14H,4-5H2,1-3H3,(H,25,29)(H,24,26,27)
InChIKeyKBIBBVFQHFGMPH-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.80
Rot. Bonds7

About N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide (PubChem CID 109316255) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
PubChem CID109316255
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C23H24N4O2/c1-4-16-7-6-8-17(5-2)21(16)27-23-24-14-13-20(26-23)22(29)25-19-11-9-18(10-12-19)15(3)28/h6-14H,4-5H2,1-3H3,(H,25,29)(H,24,26,27)
InChIKeyKBIBBVFQHFGMPH-UHFFFAOYSA-N
XLogP4.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
1-[4-[[4-(2,6-diethylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903235
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109311340

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide (CID 109316255) is N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide is CCc1cccc(CC)c1Nc1nccc(C(=O)Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
The InChIKey is KBIBBVFQHFGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-16-7-6-8-17(5-2)21(16)27-23-24-14-13-20(26-23)22(29)25-19-11-9-18(10-12-19)15(3)28/h6-14H,4-5H2,1-3H3,(H,25,29)(H,24,26,27).
What are the key properties of N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).