6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C20H20N4O3 — CID 109358931

IUPAC6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C20H20N4O3/c1-3-27-17-10-6-14(7-11-17)23-19-12-18(21-13-22-19)20(25)24-15-4-8-16(26-2)9-5-15/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyAFGVGTVAPJLTCD-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.88
Rot. Bonds7

About 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358931) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358931
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C20H20N4O3/c1-3-27-17-10-6-14(7-11-17)23-19-12-18(21-13-22-19)20(25)24-15-4-8-16(26-2)9-5-15/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyAFGVGTVAPJLTCD-UHFFFAOYSA-N
XLogP3.88
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358931) is 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)Nc3ccc(OC)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is AFGVGTVAPJLTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-27-17-10-6-14(7-11-17)23-19-12-18(21-13-22-19)20(25)24-15-4-8-16(26-2)9-5-15/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).