1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine

C13H17F3N4 — CID 82192137

IUPAC1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nc3c(c(C(F)(F)F)n2)CCC3)CC1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-9-2-1-3-10(9)18-12(19-11)20-6-4-8(17)5-7-20/h8H,1-7,17H2
InChIKeyIFLLUFHNUDZLSP-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.91
Rot. Bonds1

About 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine

1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine (PubChem CID 82192137) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine
PubChem CID82192137
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nc3c(c(C(F)(F)F)n2)CCC3)CC1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-9-2-1-3-10(9)18-12(19-11)20-6-4-8(17)5-7-20/h8H,1-7,17H2
InChIKeyIFLLUFHNUDZLSP-UHFFFAOYSA-N
XLogP1.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine (CID 82192137) is 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine is NC1CCN(c2nc3c(c(C(F)(F)F)n2)CCC3)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is IFLLUFHNUDZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)11-9-2-1-3-10(9)18-12(19-11)20-6-4-8(17)5-7-20/h8H,1-7,17H2.
What are the key properties of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine?
1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 82192137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).