2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine

C14H13F4N5 — CID 141397873

IUPAC2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESFCC1(c2cncnc2)CCCN1c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C14H13F4N5/c15-8-13(10-4-19-9-20-5-10)2-1-3-23(13)12-7-21-11(6-22-12)14(16,17)18/h4-7,9H,1-3,8H2
InChIKeyOFXITDMVCBKLDB-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine

2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 141397873) has the molecular formula C14H13F4N5 and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID141397873
Molecular FormulaC14H13F4N5
Molecular Weight327.29 g/mol
Exact Mass327.11
IUPAC Name2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESFCC1(c2cncnc2)CCCN1c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C14H13F4N5/c15-8-13(10-4-19-9-20-5-10)2-1-3-23(13)12-7-21-11(6-22-12)14(16,17)18/h4-7,9H,1-3,8H2
InChIKeyOFXITDMVCBKLDB-UHFFFAOYSA-N
XLogP2.75
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine (CID 141397873) is 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine is FCC1(c2cncnc2)CCCN1c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is OFXITDMVCBKLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N5/c15-8-13(10-4-19-9-20-5-10)2-1-3-23(13)12-7-21-11(6-22-12)14(16,17)18/h4-7,9H,1-3,8H2.
What are the key properties of 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 327.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-2-pyrimidin-5-ylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 141397873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).