N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109336454

IUPACN-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(Nc3c(C)cccc3CC)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-5-17-9-7-8-15(3)21(17)27-23-24-16(4)14-20(26-23)22(28)25-18-10-12-19(13-11-18)29-6-2/h7-14H,5-6H2,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyKNEXUQKNIYCTAN-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.05
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide

N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336454) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336454
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(Nc3c(C)cccc3CC)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-5-17-9-7-8-15(3)21(17)27-23-24-16(4)14-20(26-23)22(28)25-18-10-12-19(13-11-18)29-6-2/h7-14H,5-6H2,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyKNEXUQKNIYCTAN-UHFFFAOYSA-N
XLogP5.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336478
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
5-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109198604
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324110
2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109267775
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336454) is N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(C)nc(Nc3c(C)cccc3CC)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KNEXUQKNIYCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-17-9-7-8-15(3)21(17)27-23-24-16(4)14-20(26-23)22(28)25-18-10-12-19(13-11-18)29-6-2/h7-14H,5-6H2,1-4H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).