5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one

C15H13N3O2 — CID 116895355

IUPAC5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
SMILESCC(=O)c1nc(C)cc(-c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C15H13N3O2/c1-8-5-13(18-15(16-8)9(2)19)10-3-4-12-11(6-10)7-14(20)17-12/h3-6H,7H2,1-2H3,(H,17,20)
InChIKeyLUCYJPYIRQCURG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.15
Rot. Bonds2

About 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one

5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 116895355) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
PubChem CID116895355
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
SMILESCC(=O)c1nc(C)cc(-c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C15H13N3O2/c1-8-5-13(18-15(16-8)9(2)19)10-3-4-12-11(6-10)7-14(20)17-12/h3-6H,7H2,1-2H3,(H,17,20)
InChIKeyLUCYJPYIRQCURG-UHFFFAOYSA-N
XLogP2.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
6-[6-methyl-2-(methylamino)pyrimidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116894637
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
5-[2-(methylamino)-1,3-oxazol-4-yl]-1,3-dihydroindol-2-one
CID 116832496
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
CID 146227564
2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
CID 162638361
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one (CID 116895355) is 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one is CC(=O)c1nc(C)cc(-c2ccc3c(c2)CC(=O)N3)n1.
What is the InChIKey of 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is LUCYJPYIRQCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-8-5-13(18-15(16-8)9(2)19)10-3-4-12-11(6-10)7-14(20)17-12/h3-6H,7H2,1-2H3,(H,17,20).
What are the key properties of 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one?
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116895355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).