1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine

C12H15F3N4 — CID 82191860

IUPAC1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2nc3c(c(C(F)(F)F)n2)CCC3)C1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)10-8-2-1-3-9(8)17-11(18-10)19-5-4-7(16)6-19/h7H,1-6,16H2
InChIKeyCVLCAVQYDNITMR-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.52
Rot. Bonds1

About 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine

1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 82191860) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID82191860
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2nc3c(c(C(F)(F)F)n2)CCC3)C1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)10-8-2-1-3-9(8)17-11(18-10)19-5-4-7(16)6-19/h7H,1-6,16H2
InChIKeyCVLCAVQYDNITMR-UHFFFAOYSA-N
XLogP1.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.52
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]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine (CID 82191860) is 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine is NC1CCN(c2nc3c(c(C(F)(F)F)n2)CCC3)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is CVLCAVQYDNITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c13-12(14,15)10-8-2-1-3-9(8)17-11(18-10)19-5-4-7(16)6-19/h7H,1-6,16H2.
What are the key properties of 1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine?
1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 272.27 g/mol, XLogP of 1.52, 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]pyrrolidin-3-amine is sourced from PubChem (CID 82191860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).