2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C23H24N4O2 — CID 109336526

IUPAC2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C(C)C)n2)c1
InChIInChI=1S/C23H24N4O2/c1-14(2)19-10-5-6-11-20(19)26-22(29)21-12-15(3)24-23(27-21)25-18-9-7-8-17(13-18)16(4)28/h5-14H,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyLVDQPZMEMXEOHD-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.11
Rot. Bonds6

About 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109336526) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109336526
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C(C)C)n2)c1
InChIInChI=1S/C23H24N4O2/c1-14(2)19-10-5-6-11-20(19)26-22(29)21-12-15(3)24-23(27-21)25-18-9-7-8-17(13-18)16(4)28/h5-14H,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyLVDQPZMEMXEOHD-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

2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109336526) is 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C(C)C)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LVDQPZMEMXEOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)19-10-5-6-11-20(19)26-22(29)21-12-15(3)24-23(27-21)25-18-9-7-8-17(13-18)16(4)28/h5-14H,1-4H3,(H,26,29)(H,24,25,27).
What are the key properties of 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)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 2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).