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

C21H22N4O — CID 109347441

IUPAC6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3c(C)cccc3C)ncn2)cc1
InChIInChI=1S/C21H22N4O/c1-14-7-9-17(10-8-14)12-22-21(26)18-11-19(24-13-23-18)25-20-15(2)5-4-6-16(20)3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyOFDLXNHCAUZHIB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

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

6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347441) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347441
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3c(C)cccc3C)ncn2)cc1
InChIInChI=1S/C21H22N4O/c1-14-7-9-17(10-8-14)12-22-21(26)18-11-19(24-13-23-18)25-20-15(2)5-4-6-16(20)3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyOFDLXNHCAUZHIB-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-(2,3-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347442
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347441) is 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3c(C)cccc3C)ncn2)cc1.
What is the InChIKey of 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is OFDLXNHCAUZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-7-9-17(10-8-14)12-22-21(26)18-11-19(24-13-23-18)25-20-15(2)5-4-6-16(20)3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2,6-dimethylanilino)-N-[(4-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-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).