2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide

C23H24N4O2 — CID 109336478

IUPAC2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C)nc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C23H24N4O2/c1-5-17-8-6-7-14(2)21(17)27-22(29)20-13-15(3)24-23(26-20)25-19-11-9-18(10-12-19)16(4)28/h6-13H,5H2,1-4H3,(H,27,29)(H,24,25,26)
InChIKeyQUIBMOCSKQXDKE-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide

2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336478) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336478
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(C)nc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C23H24N4O2/c1-5-17-8-6-7-14(2)21(17)27-22(29)20-13-15(3)24-23(26-20)25-19-11-9-18(10-12-19)16(4)28/h6-13H,5H2,1-4H3,(H,27,29)(H,24,25,26)
InChIKeyQUIBMOCSKQXDKE-UHFFFAOYSA-N
XLogP4.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336476
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109177005
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109336478) is 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(C)nc(Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is QUIBMOCSKQXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-5-17-8-6-7-14(2)21(17)27-22(29)20-13-15(3)24-23(26-20)25-19-11-9-18(10-12-19)16(4)28/h6-13H,5H2,1-4H3,(H,27,29)(H,24,25,26).
What are the key properties of 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).