2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide

C22H24N4O — CID 109334547

IUPAC2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-15-14-19(26-21(23-15)25-17-8-6-5-7-9-17)20(27)24-18-12-10-16(11-13-18)22(2,3)4/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyHBXIAGYZBVXJFJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.08
Rot. Bonds4

About 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide

2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334547) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109334547
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-15-14-19(26-21(23-15)25-17-8-6-5-7-9-17)20(27)24-18-12-10-16(11-13-18)22(2,3)4/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyHBXIAGYZBVXJFJ-UHFFFAOYSA-N
XLogP5.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109335176
N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327405
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109334547) is 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HBXIAGYZBVXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-14-19(26-21(23-15)25-17-8-6-5-7-9-17)20(27)24-18-12-10-16(11-13-18)22(2,3)4/h5-14H,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide?
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).