2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

C20H20N4O — CID 109314095

IUPAC2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-13-4-6-16(7-5-13)22-19(25)18-8-9-21-20(24-18)23-17-11-14(2)10-15(3)12-17/h4-12H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyDENQUGLUHNJSNI-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.40
Rot. Bonds4

About 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314095) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109314095
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-13-4-6-16(7-5-13)22-19(25)18-8-9-21-20(24-18)23-17-11-14(2)10-15(3)12-17/h4-12H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyDENQUGLUHNJSNI-UHFFFAOYSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315158
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
ethyl 4-[[4-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315230
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109314095) is 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DENQUGLUHNJSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-4-6-16(7-5-13)22-19(25)18-8-9-21-20(24-18)23-17-11-14(2)10-15(3)12-17/h4-12H,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).