2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide

C21H22N4O3 — CID 109267314

IUPAC2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1
InChIInChI=1S/C21H22N4O3/c1-4-14-7-5-6-8-17(14)24-20(26)15-12-22-21(23-13-15)25-18-10-9-16(27-2)11-19(18)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyNJWKWFNYFFRPHW-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.05
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide

2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267314) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267314
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1
InChIInChI=1S/C21H22N4O3/c1-4-14-7-5-6-8-17(14)24-20(26)15-12-22-21(23-13-15)25-18-10-9-16(27-2)11-19(18)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyNJWKWFNYFFRPHW-UHFFFAOYSA-N
XLogP4.05
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267735
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254104
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide (CID 109267314) is 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is NJWKWFNYFFRPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-14-7-5-6-8-17(14)24-20(26)15-12-22-21(23-13-15)25-18-10-9-16(27-2)11-19(18)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.05, 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-ethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).