6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C21H22N4O — CID 109346955

IUPAC6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3C)ncn2)cc1C
InChIInChI=1S/C21H22N4O/c1-14-8-9-18(10-16(14)3)25-20-11-19(23-13-24-20)21(26)22-12-17-7-5-4-6-15(17)2/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyJSORDQXBFYMONW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

About 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109346955) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109346955
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3C)ncn2)cc1C
InChIInChI=1S/C21H22N4O/c1-14-8-9-18(10-16(14)3)25-20-11-19(23-13-24-20)21(26)22-12-17-7-5-4-6-15(17)2/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyJSORDQXBFYMONW-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346974
4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209976
ethyl 4-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109347005
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347017
methyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109346993
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109352465
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348199
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109348620

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109346955) is 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccccc3C)ncn2)cc1C.
What is the InChIKey of 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is JSORDQXBFYMONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-9-18(10-16(14)3)25-20-11-19(23-13-24-20)21(26)22-12-17-7-5-4-6-15(17)2/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109346955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).