2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C18H19N3O2S — CID 135538524

IUPAC2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C18H19N3O2S/c1-3-6-12-9-16(23)21-18(20-12)24-10-15(22)17-11(2)19-14-8-5-4-7-13(14)17/h4-5,7-9,19H,3,6,10H2,1-2H3,(H,20,21,23)
InChIKeyGZRCTCLRYACFBW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.49
Rot. Bonds6

About 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135538524) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135538524
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C18H19N3O2S/c1-3-6-12-9-16(23)21-18(20-12)24-10-15(22)17-11(2)19-14-8-5-4-7-13(14)17/h4-5,7-9,19H,3,6,10H2,1-2H3,(H,20,21,23)
InChIKeyGZRCTCLRYACFBW-UHFFFAOYSA-N
XLogP3.49
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
Brassicanal A
CID 443054
1-(2-methyl-1H-indol-3-yl)ethan-1-one
CID 285754
Cyclobrassinone
CID 405275
Carbazoquinocin C
CID 10335508
Rutalexin
CID 11195626
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl morpholine-4-carbodithioate
CID 942297
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9209386
1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone
CID 937563
2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-1H-quinazolin-4-one
CID 135519192
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate
CID 757696
3-(2-Methyl-1h-indol-3-yl)-3-oxopropanenitrile
CID 705294

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135538524) is 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC(=O)c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is GZRCTCLRYACFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-6-12-9-16(23)21-18(20-12)24-10-15(22)17-11(2)19-14-8-5-4-7-13(14)17/h4-5,7-9,19H,3,6,10H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 341.44 g/mol, XLogP of 3.49, 6 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-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135538524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).