N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide

C18H20N6O2 — CID 70783391

IUPACN-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn(CCn3c(C)cc(C)nc3=O)nn2)cc1
InChIInChI=1S/C18H20N6O2/c1-12-10-13(2)24(18(26)19-12)9-8-23-11-17(21-22-23)15-4-6-16(7-5-15)20-14(3)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)
InChIKeyYLKHFJGMAAUANJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.78
Rot. Bonds5

About N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide

N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide (PubChem CID 70783391) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide
PubChem CID70783391
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn(CCn3c(C)cc(C)nc3=O)nn2)cc1
InChIInChI=1S/C18H20N6O2/c1-12-10-13(2)24(18(26)19-12)9-8-23-11-17(21-22-23)15-4-6-16(7-5-15)20-14(3)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)
InChIKeyYLKHFJGMAAUANJ-UHFFFAOYSA-N
XLogP1.78
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)triazol-1-yl]ethyl]-4,6-dimethylpyrimidin-2-one
CID 72897452
5,7-dimethyl-N-[4-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155968417
N-[4-[1-(carbamoylamino)triazol-4-yl]phenyl]acetamide
CID 20980443
1-(3-methylbutyl)-N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]triazole-4-carboxamide
CID 167919964
1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 55039442
2,4-dimethyl-N-[4-[1-(9-oxodecyl)triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;(2-methylidene-5-oxopyrrolidin-1-yl) 5-[4-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]triazol-1-yl]pentanoate
CID 158143411
N-[4-[1-(2-ethylphenyl)triazol-4-yl]phenyl]acetamide
CID 175753462
N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 852462
N-[4-[1-[2-[2-(4-cyclohexyl-3-oxobutoxy)ethoxy]ethyl]triazol-4-yl]phenyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 152828668
2-[[2-[4-(4-acetamidophenyl)triazol-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 175218185
N-[4-[1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]phenyl]acetamide
CID 96578014
2-[4-(4-methylphenyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 138373950

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide (CID 70783391) is N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cn(CCn3c(C)cc(C)nc3=O)nn2)cc1.
What is the InChIKey of N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide?
The InChIKey is YLKHFJGMAAUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-10-13(2)24(18(26)19-12)9-8-23-11-17(21-22-23)15-4-6-16(7-5-15)20-14(3)25/h4-7,10-11H,8-9H2,1-3H3,(H,20,25).
What are the key properties of N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide?
N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 70783391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).