2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide

C21H22N4O4 — CID 109317827

IUPAC2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C21H22N4O4/c1-4-29-18-8-6-5-7-15(18)23-20(26)17-11-12-22-21(25-17)24-16-10-9-14(27-2)13-19(16)28-3/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyGOOLJRQYSBXQGM-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.89
Rot. Bonds8

About 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide

2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109317827) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109317827
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C21H22N4O4/c1-4-29-18-8-6-5-7-15(18)23-20(26)17-11-12-22-21(25-17)24-16-10-9-14(27-2)13-19(16)28-3/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyGOOLJRQYSBXQGM-UHFFFAOYSA-N
XLogP3.89
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
N-(2,4-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315278
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318052
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109317827) is 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is GOOLJRQYSBXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-4-29-18-8-6-5-7-15(18)23-20(26)17-11-12-22-21(25-17)24-16-10-9-14(27-2)13-19(16)28-3/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).