2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

C15H15N3O2S — CID 3184603

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCC1Cc2ccccc2N1C(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-8-11-4-2-3-5-12(11)18(10)14(20)9-21-15-16-7-6-13(19)17-15/h2-7,10H,8-9H2,1H3,(H,16,17,19)
InChIKeyUVLLBMOBZBTKMW-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.84
Rot. Bonds3

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one

2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 3184603) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID3184603
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCC1Cc2ccccc2N1C(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-8-11-4-2-3-5-12(11)18(10)14(20)9-21-15-16-7-6-13(19)17-15/h2-7,10H,8-9H2,1H3,(H,16,17,19)
InChIKeyUVLLBMOBZBTKMW-UHFFFAOYSA-N
XLogP1.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
3-methyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 3406118
3-Methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4129028
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 653388

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 3184603) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is CC1Cc2ccccc2N1C(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UVLLBMOBZBTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-8-11-4-2-3-5-12(11)18(10)14(20)9-21-15-16-7-6-13(19)17-15/h2-7,10H,8-9H2,1H3,(H,16,17,19).
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 301.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3184603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).