6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109370451

IUPAC6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C)c(C)c3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-14-5-8-18(11-15(14)2)26-21-12-20(24-16(3)25-21)22(27)23-13-17-6-9-19(28-4)10-7-17/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyOPZJRLBNCDEEIW-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.08
Rot. Bonds6

About 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109370451) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109370451
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C)c(C)c3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-14-5-8-18(11-15(14)2)26-21-12-20(24-16(3)25-21)22(27)23-13-17-6-9-19(28-4)10-7-17/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyOPZJRLBNCDEEIW-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

6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370328
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371405
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
6-(3-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372240
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109370451) is 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccc(C)c(C)c3)nc(C)n2)cc1.
What is the InChIKey of 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is OPZJRLBNCDEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-5-8-18(11-15(14)2)26-21-12-20(24-16(3)25-21)22(27)23-13-17-6-9-19(28-4)10-7-17/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-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 6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).