N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109357676

IUPACN-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3C)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-13-9-14(2)20(15(3)10-13)25-19-11-18(22-12-23-19)21(26)24-16-5-7-17(27-4)8-6-16/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyXIZRDFVQUPTVEA-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds5

About N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357676) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109357676
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3C)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-13-9-14(2)20(15(3)10-13)25-19-11-18(22-12-23-19)21(26)24-16-5-7-17(27-4)8-6-16/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyXIZRDFVQUPTVEA-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

6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358578
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109357704
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109357676) is N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3C)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is XIZRDFVQUPTVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-9-14(2)20(15(3)10-13)25-19-11-18(22-12-23-19)21(26)24-16-5-7-17(27-4)8-6-16/h5-12H,1-4H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)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 N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).