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

C21H22N4O — CID 109256132

IUPAC2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-14-4-6-17(7-5-14)11-22-20(26)18-12-23-21(24-13-18)25-19-9-15(2)8-16(3)10-19/h4-10,12-13H,11H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyLVLVIZFWPHPZHL-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

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

2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256132) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256132
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-14-4-6-17(7-5-14)11-22-20(26)18-12-23-21(24-13-18)25-19-9-15(2)8-16(3)10-19/h4-10,12-13H,11H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyLVLVIZFWPHPZHL-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

2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109261506
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256142
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109256132) is 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(Nc3cc(C)cc(C)c3)nc2)cc1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is LVLVIZFWPHPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-4-6-17(7-5-14)11-22-20(26)18-12-23-21(24-13-18)25-19-9-15(2)8-16(3)10-19/h4-10,12-13H,11H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-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 2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).