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

C15H13N3O2S — CID 2341713

IUPAC2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C15H13N3O2S/c1-9-14(10-4-2-3-5-11(10)17-9)12(19)8-21-15-16-7-6-13(20)18-15/h2-7,17H,8H2,1H3,(H,16,18,20)
InChIKeyPAERCFKHGRKQSD-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.53
Rot. Bonds4

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

2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 2341713) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID2341713
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C15H13N3O2S/c1-9-14(10-4-2-3-5-11(10)17-9)12(19)8-21-15-16-7-6-13(20)18-15/h2-7,17H,8H2,1H3,(H,16,18,20)
InChIKeyPAERCFKHGRKQSD-UHFFFAOYSA-N
XLogP2.53
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
CID 1252760
1-(2-methyl-1H-indol-3-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 51319726
1-(2-methyl-1H-indol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 722189
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4813760
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 39759075
1-(2-methyl-1H-indol-3-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7257630
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 35790610
1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17416892
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
1-(2-methyl-1H-indol-3-yl)-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8634813
1-(2-methyl-1H-indol-3-yl)-2-pyrazin-2-ylethanone
CID 116832726
2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 43218640

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one (CID 2341713) is 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is Cc1[nH]c2ccccc2c1C(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is PAERCFKHGRKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-14(10-4-2-3-5-11(10)17-9)12(19)8-21-15-16-7-6-13(20)18-15/h2-7,17H,8H2,1H3,(H,16,18,20).
What are the key properties of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 299.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 2341713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).