2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide

C22H24N4O2 — CID 91904076

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C22H24N4O2/c1-16-8-7-11-19(12-16)24-20(27)15-26-21(28)13-17(2)23-22(26)25(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyZVEPHIOMWWXXOT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds6

About 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 91904076) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID91904076
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C22H24N4O2/c1-16-8-7-11-19(12-16)24-20(27)15-26-21(28)13-17(2)23-22(26)25(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyZVEPHIOMWWXXOT-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 2124224
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10364786
1-[3-[[3-[(N'-methyl-N-phenylcarbamimidoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-3-propan-2-ylurea
CID 10625155
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44577642
(1E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(3-methylphenyl)urea
CID 136106112
1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methylphenyl)urea
CID 909097
(5E)-1-benzyl-5-{[4-(dimethylamino)phenyl]methylidene}imidazolidine-2,4-dione
CID 25185444
3-Cyclohexyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 649300
3-Benzyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655009
3-Benzyl-2-(3,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655768
8-methyl-4-(4-methylphenyl)-2-[(4-methylphenyl)amino]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 667372

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide (CID 91904076) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ZVEPHIOMWWXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-8-7-11-19(12-16)24-20(27)15-26-21(28)13-17(2)23-22(26)25(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 91904076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).