2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109335728

IUPAC2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-5-28-18-10-8-17(9-11-18)24-21(27)20-13-16(4)23-22(26-20)25-19-12-14(2)6-7-15(19)3/h6-13H,5H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyLWPHYHFAKQWZOL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.80
Rot. Bonds6

About 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335728) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335728
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-5-28-18-10-8-17(9-11-18)24-21(27)20-13-16(4)23-22(26-20)25-19-12-14(2)6-7-15(19)3/h6-13H,5H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyLWPHYHFAKQWZOL-UHFFFAOYSA-N
XLogP4.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.80
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-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
2-N-(2,5-dimethylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928127
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109127582
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335722
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335728) is 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(C)nc(Nc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LWPHYHFAKQWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-5-28-18-10-8-17(9-11-18)24-21(27)20-13-16(4)23-22(26-20)25-19-12-14(2)6-7-15(19)3/h6-13H,5H2,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).