1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole

C16H18N4 — CID 112884067

IUPAC1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1ccnc(N2CCCC2)n1
InChIInChI=1S/C16H18N4/c1-2-6-14-13(5-1)8-12-20(14)15-7-9-17-16(18-15)19-10-3-4-11-19/h1-2,5-7,9H,3-4,8,10-12H2
InChIKeyHLBIJCRYKDNUEG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.77
Rot. Bonds2

About 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole

1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (PubChem CID 112884067) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
PubChem CID112884067
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1ccnc(N2CCCC2)n1
InChIInChI=1S/C16H18N4/c1-2-6-14-13(5-1)8-12-20(14)15-7-9-17-16(18-15)19-10-3-4-11-19/h1-2,5-7,9H,3-4,8,10-12H2
InChIKeyHLBIJCRYKDNUEG-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112898344
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-[4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 25251781
1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The IUPAC name of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole (CID 112884067) is 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is c1ccc2c(c1)CCN2c1ccnc(N2CCCC2)n1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
The InChIKey is HLBIJCRYKDNUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-6-14-13(5-1)8-12-20(14)15-7-9-17-16(18-15)19-10-3-4-11-19/h1-2,5-7,9H,3-4,8,10-12H2.
What are the key properties of 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole?
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole has a molecular weight of 266.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 112884067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).