2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

C22H24N4O — CID 109267067

IUPAC2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3c(C)cccc3C)nc2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-13-9-16(4)20(17(5)10-13)25-21(27)18-11-23-22(24-12-18)26-19-14(2)7-6-8-15(19)3/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyMTBXBQYUTKCADX-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.01
Rot. Bonds4

About 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide

2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267067) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267067
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3c(C)cccc3C)nc2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-13-9-16(4)20(17(5)10-13)25-21(27)18-11-23-22(24-12-18)26-19-14(2)7-6-8-15(19)3/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyMTBXBQYUTKCADX-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-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-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109247554
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109256409

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (CID 109267067) is 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3c(C)cccc3C)nc2)c(C)c1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is MTBXBQYUTKCADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-13-9-16(4)20(17(5)10-13)25-21(27)18-11-23-22(24-12-18)26-19-14(2)7-6-8-15(19)3/h6-12H,1-5H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).