5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine

C15H15ClF3N5 — CID 171337721

IUPAC5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1ncccc1CN1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C15H15ClF3N5/c16-12-8-21-14(22-9-12)24-6-4-23(5-7-24)10-11-2-1-3-20-13(11)15(17,18)19/h1-3,8-9H,4-7,10H2
InChIKeyOVMLOVUJOJFGRG-UHFFFAOYSA-N
MW357.77 g/mol
LogP2.87
Rot. Bonds3

About 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine

5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 171337721) has the molecular formula C15H15ClF3N5 and a molecular weight of 357.77 g/mol. Its IUPAC name is 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
PubChem CID171337721
Molecular FormulaC15H15ClF3N5
Molecular Weight357.77 g/mol
Exact Mass357.10
IUPAC Name5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
SMILESFC(F)(F)c1ncccc1CN1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C15H15ClF3N5/c16-12-8-21-14(22-9-12)24-6-4-23(5-7-24)10-11-2-1-3-20-13(11)15(17,18)19/h1-3,8-9H,4-7,10H2
InChIKeyOVMLOVUJOJFGRG-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine (CID 171337721) is 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine is FC(F)(F)c1ncccc1CN1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is OVMLOVUJOJFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5/c16-12-8-21-14(22-9-12)24-6-4-23(5-7-24)10-11-2-1-3-20-13(11)15(17,18)19/h1-3,8-9H,4-7,10H2.
What are the key properties of 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine?
5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 357.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171337721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).