2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109335167

IUPAC2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-18-11-9-17(10-12-18)24-21-22-15(3)13-19(25-21)20(26)23-16-7-5-14(2)6-8-16/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyQZEMIORQXOKQGD-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds6

About 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109335167) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109335167
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-18-11-9-17(10-12-18)24-21-22-15(3)13-19(25-21)20(26)23-16-7-5-14(2)6-8-16/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyQZEMIORQXOKQGD-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336231
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
methyl 4-[[4-methyl-6-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109335183
methyl 4-[[6-methyl-2-(4-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109335103
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109335176

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109335167) is 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QZEMIORQXOKQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-18-11-9-17(10-12-18)24-21-22-15(3)13-19(25-21)20(26)23-16-7-5-14(2)6-8-16/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109335167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).