4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H20F3N5 — CID 171337724

IUPAC4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)c1ncccc1CN1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H20F3N5/c19-18(20,21)16-13(3-2-6-22-16)11-25-7-9-26(10-8-25)17-14-4-1-5-15(14)23-12-24-17/h2-3,6,12H,1,4-5,7-11H2
InChIKeyQQNFAGGVSSJERO-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.70
Rot. Bonds3

About 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 171337724) has the molecular formula C18H20F3N5 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID171337724
Molecular FormulaC18H20F3N5
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)c1ncccc1CN1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H20F3N5/c19-18(20,21)16-13(3-2-6-22-16)11-25-7-9-26(10-8-25)17-14-4-1-5-15(14)23-12-24-17/h2-3,6,12H,1,4-5,7-11H2
InChIKeyQQNFAGGVSSJERO-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 171337724) is 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC(F)(F)c1ncccc1CN1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is QQNFAGGVSSJERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5/c19-18(20,21)16-13(3-2-6-22-16)11-25-7-9-26(10-8-25)17-14-4-1-5-15(14)23-12-24-17/h2-3,6,12H,1,4-5,7-11H2.
What are the key properties of 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 363.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 171337724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).