2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C15H20F3N5O — CID 171778990

IUPAC2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESNCC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)11-8-20-13(21-9-11)23-5-3-22(4-6-23)12(24)7-14(10-19)1-2-14/h8-9H,1-7,10,19H2
InChIKeyLEGRWFCEHLOQEB-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.27
Rot. Bonds4

About 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 171778990) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID171778990
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESNCC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)11-8-20-13(21-9-11)23-5-3-22(4-6-23)12(24)7-14(10-19)1-2-14/h8-9H,1-7,10,19H2
InChIKeyLEGRWFCEHLOQEB-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone 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-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 171778990) is 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is NCC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is LEGRWFCEHLOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c16-15(17,18)11-8-20-13(21-9-11)23-5-3-22(4-6-23)12(24)7-14(10-19)1-2-14/h8-9H,1-7,10,19H2.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 343.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 171778990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).