N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109372186

IUPACN-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3c(C)cccc3C)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-6-5-7-16(2)22(15)27-23(28)20-14-21(26-17(3)25-20)24-13-12-18-8-10-19(29-4)11-9-18/h5-11,14H,12-13H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyNYNQXBNKGMKAEG-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.32
Rot. Bonds7

About N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109372186) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109372186
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3c(C)cccc3C)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-6-5-7-16(2)22(15)27-23(28)20-14-21(26-17(3)25-20)24-13-12-18-8-10-19(29-4)11-9-18/h5-11,14H,12-13H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyNYNQXBNKGMKAEG-UHFFFAOYSA-N
XLogP4.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
N-(3,5-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372185
N-(3-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372199
N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372182
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109372186) is N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)Nc3c(C)cccc3C)nc(C)n2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is NYNQXBNKGMKAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-6-5-7-16(2)22(15)27-23(28)20-14-21(26-17(3)25-20)24-13-12-18-8-10-19(29-4)11-9-18/h5-11,14H,12-13H2,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).