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

C12H10ClN3 — CID 22731926

IUPAC1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
SMILESClc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C12H10ClN3/c13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16/h1-5,7H,6,8H2
InChIKeyDVXCTFIEGLLGJG-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.82
Rot. Bonds1

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

1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole (PubChem CID 22731926) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
PubChem CID22731926
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
SMILESClc1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C12H10ClN3/c13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16/h1-5,7H,6,8H2
InChIKeyDVXCTFIEGLLGJG-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
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
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole (CID 22731926) is 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole is Clc1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole?
The InChIKey is DVXCTFIEGLLGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-12-14-7-5-11(15-12)16-8-6-9-3-1-2-4-10(9)16/h1-5,7H,6,8H2.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole?
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole has a molecular weight of 231.69 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 22731926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).