2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C23H26N4O2 — CID 109316253

IUPAC2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3c(CC)cccc3CC)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-16-8-7-9-17(5-2)21(16)27-23-24-15-14-20(26-23)22(28)25-18-10-12-19(13-11-18)29-6-3/h7-15H,4-6H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyWWJUHDIWZAVBAI-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.00
Rot. Bonds8

About 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109316253) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109316253
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3c(CC)cccc3CC)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-16-8-7-9-17(5-2)21(16)27-23-24-15-14-20(26-23)22(28)25-18-10-12-19(13-11-18)29-6-3/h7-15H,4-6H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyWWJUHDIWZAVBAI-UHFFFAOYSA-N
XLogP5.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
methyl 3-[[4-[(4-ethoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317891
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306487
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109316253) is 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(Nc3c(CC)cccc3CC)n2)cc1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is WWJUHDIWZAVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-16-8-7-9-17(5-2)21(16)27-23-24-15-14-20(26-23)22(28)25-18-10-12-19(13-11-18)29-6-3/h7-15H,4-6H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).