2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109329340

IUPAC2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc(Nc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-14-6-5-7-15(2)20(14)26-22-24-16(3)12-19(25-22)21(27)23-13-17-8-10-18(28-4)11-9-17/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyQXBJYDUHNFLMBA-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.08
Rot. Bonds6

About 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329340) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109329340
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc(Nc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-14-6-5-7-15(2)20(14)26-22-24-16(3)12-19(25-22)21(27)23-13-17-8-10-18(28-4)11-9-17/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyQXBJYDUHNFLMBA-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329355
2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328772
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
2-N-(2,6-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918471
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327931

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109329340) is 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(C)nc(Nc3c(C)cccc3C)n2)cc1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is QXBJYDUHNFLMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-6-5-7-15(2)20(14)26-22-24-16(3)12-19(25-22)21(27)23-13-17-8-10-18(28-4)11-9-17/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).