N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide

C21H22N4O3 — CID 109315277

IUPACN-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C21H22N4O3/c1-13-6-5-7-14(2)19(13)25-21-22-11-10-16(24-21)20(26)23-17-12-15(27-3)8-9-18(17)28-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyBEBGLLGRKDDJMF-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.11
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315277) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109315277
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3c(C)cccc3C)n2)c1
InChIInChI=1S/C21H22N4O3/c1-13-6-5-7-14(2)19(13)25-21-22-11-10-16(24-21)20(26)23-17-12-15(27-3)8-9-18(17)28-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyBEBGLLGRKDDJMF-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315278
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
N-(2,5-dimethoxyphenyl)-5-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109198260
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316103
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide (CID 109315277) is N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(Nc3c(C)cccc3C)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is BEBGLLGRKDDJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-6-5-7-14(2)19(13)25-21-22-11-10-16(24-21)20(26)23-17-12-15(27-3)8-9-18(17)28-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).