1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole

C13H13N3S — CID 59743394

IUPAC1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
SMILESCSc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3S/c1-17-13-14-8-6-12(15-13)16-9-7-10-4-2-3-5-11(10)16/h2-6,8H,7,9H2,1H3
InChIKeyAKDUBQJWZCQBFZ-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.89
Rot. Bonds2

About 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole

1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole (PubChem CID 59743394) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
PubChem CID59743394
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
SMILESCSc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3S/c1-17-13-14-8-6-12(15-13)16-9-7-10-4-2-3-5-11(10)16/h2-6,8H,7,9H2,1H3
InChIKeyAKDUBQJWZCQBFZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
CID 112900683
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole (CID 59743394) is 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole is CSc1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole?
The InChIKey is AKDUBQJWZCQBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-17-13-14-8-6-12(15-13)16-9-7-10-4-2-3-5-11(10)16/h2-6,8H,7,9H2,1H3.
What are the key properties of 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole?
1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole has a molecular weight of 243.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 59743394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).