2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

C20H24F3N5 — CID 90166012

IUPAC2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)15-6-4-14(5-7-15)18(12-24)27-8-10-28(11-9-27)19-16-2-1-3-17(16)25-13-26-19/h4-7,13,18H,1-3,8-12,24H2
InChIKeyURQPFVVLTWIGDH-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.81
Rot. Bonds4

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

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 90166012) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID90166012
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)15-6-4-14(5-7-15)18(12-24)27-8-10-28(11-9-27)19-16-2-1-3-17(16)25-13-26-19/h4-7,13,18H,1-3,8-12,24H2
InChIKeyURQPFVVLTWIGDH-UHFFFAOYSA-N
XLogP2.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 90166012) is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is NCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is URQPFVVLTWIGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5/c21-20(22,23)15-6-4-14(5-7-15)18(12-24)27-8-10-28(11-9-27)19-16-2-1-3-17(16)25-13-26-19/h4-7,13,18H,1-3,8-12,24H2.
What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 391.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 90166012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).