N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 112849126

IUPACN-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3cc(C)cc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-5-28-19-8-6-17(7-9-19)25-21-13-20(23-16(4)24-21)22(27)26-18-11-14(2)10-15(3)12-18/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyVQEFBFZYQMPGJD-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.80
Rot. Bonds6

About N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849126) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112849126
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3cc(C)cc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-5-28-19-8-6-17(7-9-19)25-21-13-20(23-16(4)24-21)22(27)26-18-11-14(2)10-15(3)12-18/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyVQEFBFZYQMPGJD-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

6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
N-(3,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849129
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
1-[4-[[6-(4-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878488

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112849126) is N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)Nc3cc(C)cc(C)c3)nc(C)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is VQEFBFZYQMPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-5-28-19-8-6-17(7-9-19)25-21-13-20(23-16(4)24-21)22(27)26-18-11-14(2)10-15(3)12-18/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-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 N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).