5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine

C17H21N5 — CID 178065874

IUPAC5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1ncc(N2CCN(C3Cc4ccccc4C3)CC2)cn1
InChIInChI=1S/C17H21N5/c18-17-19-11-16(12-20-17)22-7-5-21(6-8-22)15-9-13-3-1-2-4-14(13)10-15/h1-4,11-12,15H,5-10H2,(H2,18,19,20)
InChIKeyZGVNKDBYYRPREW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.35
Rot. Bonds2

About 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine

5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 178065874) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID178065874
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1ncc(N2CCN(C3Cc4ccccc4C3)CC2)cn1
InChIInChI=1S/C17H21N5/c18-17-19-11-16(12-20-17)22-7-5-21(6-8-22)15-9-13-3-1-2-4-14(13)10-15/h1-4,11-12,15H,5-10H2,(H2,18,19,20)
InChIKeyZGVNKDBYYRPREW-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
6-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine;dihydrochloride
CID 154920541
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
CID 92968612
1-(2,3-dihydro-1H-inden-2-yl)piperazine;dihydrochloride
CID 50944348
acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 145054361
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine
CID 121184377
(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
CID 89174477

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 178065874) is 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine is Nc1ncc(N2CCN(C3Cc4ccccc4C3)CC2)cn1.
What is the InChIKey of 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is ZGVNKDBYYRPREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c18-17-19-11-16(12-20-17)22-7-5-21(6-8-22)15-9-13-3-1-2-4-14(13)10-15/h1-4,11-12,15H,5-10H2,(H2,18,19,20).
What are the key properties of 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine?
5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 178065874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).