4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one

C14H13N3O2 — CID 136655090

IUPAC4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1Cc2ccccc2N1C(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C14H13N3O2/c1-9-6-10-4-2-3-5-12(10)17(9)14(19)11-7-13(18)16-8-15-11/h2-5,7-9H,6H2,1H3,(H,15,16,18)
InChIKeyWSZUFLCKGVCBCH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.36
Rot. Bonds1

About 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one

4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 136655090) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID136655090
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1Cc2ccccc2N1C(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C14H13N3O2/c1-9-6-10-4-2-3-5-12(10)17(9)14(19)11-7-13(18)16-8-15-11/h2-5,7-9H,6H2,1H3,(H,15,16,18)
InChIKeyWSZUFLCKGVCBCH-UHFFFAOYSA-N
XLogP1.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
(2-methyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 47322681
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
4-methyl-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049137
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one (CID 136655090) is 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one is CC1Cc2ccccc2N1C(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is WSZUFLCKGVCBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-6-10-4-2-3-5-12(10)17(9)14(19)11-7-13(18)16-8-15-11/h2-5,7-9H,6H2,1H3,(H,15,16,18).
What are the key properties of 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one?
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 255.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136655090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).