6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide

C20H20N4O — CID 109355977

IUPAC6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3C)ncn2)c(C)c1
InChIInChI=1S/C20H20N4O/c1-13-8-9-17(15(3)10-13)23-19-11-18(21-12-22-19)20(25)24-16-7-5-4-6-14(16)2/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyGDZPERJWBIGDTA-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.40
Rot. Bonds4

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

6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109355977) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109355977
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3C)ncn2)c(C)c1
InChIInChI=1S/C20H20N4O/c1-13-8-9-17(15(3)10-13)23-19-11-18(21-12-22-19)20(25)24-16-7-5-4-6-14(16)2/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyGDZPERJWBIGDTA-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

N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356770
ethyl 2-[[6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109355963
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109355977) is 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccccc3C)ncn2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GDZPERJWBIGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-8-9-17(15(3)10-13)23-19-11-18(21-12-22-19)20(25)24-16-7-5-4-6-14(16)2/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-(2,4-dimethylanilino)-N-(2-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 6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).