2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109316217

IUPAC2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-13-11-14(2)19(15(3)12-13)25-20(26)18-9-10-22-21(24-18)23-16-5-7-17(27-4)8-6-16/h5-12H,1-4H3,(H,25,26)(H,22,23,24)
InChIKeySSZMWLQAWZHWSD-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109316217) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109316217
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-13-11-14(2)19(15(3)12-13)25-20(26)18-9-10-22-21(24-18)23-16-5-7-17(27-4)8-6-16/h5-12H,1-4H3,(H,25,26)(H,22,23,24)
InChIKeySSZMWLQAWZHWSD-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317373
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109299699
N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316170
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315373

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109316217) is 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)Nc3c(C)cc(C)cc3C)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is SSZMWLQAWZHWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-11-14(2)19(15(3)12-13)25-20(26)18-9-10-22-21(24-18)23-16-5-7-17(27-4)8-6-16/h5-12H,1-4H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).