2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide

C22H24N4O3 — CID 109267735

IUPAC2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1
InChIInChI=1S/C22H24N4O3/c1-5-15-8-6-7-14(2)20(15)26-21(27)16-12-23-22(24-13-16)25-18-10-9-17(28-3)11-19(18)29-4/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyLOXFQHMVCSTICW-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.36
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide

2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267735) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109267735
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1
InChIInChI=1S/C22H24N4O3/c1-5-15-8-6-7-14(2)20(15)26-21(27)16-12-23-22(24-13-16)25-18-10-9-17(28-3)11-19(18)29-4/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyLOXFQHMVCSTICW-UHFFFAOYSA-N
XLogP4.36
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357540
2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109267775
2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
N-(2-ethyl-6-methylphenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109162989
methyl 3-[[2-(2-ethyl-6-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267789
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (CID 109267735) is 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is LOXFQHMVCSTICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-15-8-6-7-14(2)20(15)26-21(27)16-12-23-22(24-13-16)25-18-10-9-17(28-3)11-19(18)29-4/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).