N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

C23H24N4O2 — CID 109316296

IUPACN-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(Nc3c(C)cccc3C(C)C)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-14(2)19-7-5-6-15(3)21(19)27-23-24-13-12-20(26-23)22(29)25-18-10-8-17(9-11-18)16(4)28/h5-14H,1-4H3,(H,25,29)(H,24,26,27)
InChIKeyNLVCNHKDYHBIMW-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.11
Rot. Bonds6

About N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109316296) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109316296
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(Nc3c(C)cccc3C(C)C)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-14(2)19-7-5-6-15(3)21(19)27-23-24-13-12-20(26-23)22(29)25-18-10-8-17(9-11-18)16(4)28/h5-14H,1-4H3,(H,25,29)(H,24,26,27)
InChIKeyNLVCNHKDYHBIMW-UHFFFAOYSA-N
XLogP5.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
methyl 4-[[2-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315289
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
methyl 4-[[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316030
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109318587
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109316296) is N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(Nc3c(C)cccc3C(C)C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is NLVCNHKDYHBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)19-7-5-6-15(3)21(19)27-23-24-13-12-20(26-23)22(29)25-18-10-8-17(9-11-18)16(4)28/h5-14H,1-4H3,(H,25,29)(H,24,26,27).
What are the key properties of N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.11, 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-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).