1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole

C17H21N5 — CID 112888146

IUPAC1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCN1CCN(c2nccc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C17H21N5/c1-20-10-12-21(13-11-20)17-18-8-6-16(19-17)22-9-7-14-4-2-3-5-15(14)22/h2-6,8H,7,9-13H2,1H3
InChIKeyZWVDKVTXQIWCSW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.92
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole

1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 112888146) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
PubChem CID112888146
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCN1CCN(c2nccc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C17H21N5/c1-20-10-12-21(13-11-20)17-18-8-6-16(19-17)22-9-7-14-4-2-3-5-15(14)22/h2-6,8H,7,9-13H2,1H3
InChIKeyZWVDKVTXQIWCSW-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112914025
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-[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-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
CID 24845643
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole (CID 112888146) is 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole is CN1CCN(c2nccc(N3CCc4ccccc43)n2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is ZWVDKVTXQIWCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-20-10-12-21(13-11-20)17-18-8-6-16(19-17)22-9-7-14-4-2-3-5-15(14)22/h2-6,8H,7,9-13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole?
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 295.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 112888146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).