2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine

C17H20N4 — CID 30982970

IUPAC2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(C3Cc4ccccc4C3)CC2)nc1
InChIInChI=1S/C17H20N4/c1-2-5-15-13-16(12-14(15)4-1)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,16H,8-13H2
InChIKeyVEHURVPMXFNHTC-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.77
Rot. Bonds2

About 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine

2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 30982970) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
PubChem CID30982970
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(C3Cc4ccccc4C3)CC2)nc1
InChIInChI=1S/C17H20N4/c1-2-5-15-13-16(12-14(15)4-1)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,16H,8-13H2
InChIKeyVEHURVPMXFNHTC-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine (CID 30982970) is 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(C3Cc4ccccc4C3)CC2)nc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is VEHURVPMXFNHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-5-15-13-16(12-14(15)4-1)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7,16H,8-13H2.
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine?
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 280.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 30982970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).