5-fluoro-2-pyrrolidin-3-ylpyrimidine

C8H10FN3 — CID 67480028

IUPAC5-fluoro-2-pyrrolidin-3-ylpyrimidine
SMILESFc1cnc(C2CCNC2)nc1
InChIInChI=1S/C8H10FN3/c9-7-4-11-8(12-5-7)6-1-2-10-3-6/h4-6,10H,1-3H2
InChIKeyGDACTNRHNVCJKY-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.69
Rot. Bonds1

About 5-fluoro-2-pyrrolidin-3-ylpyrimidine

5-fluoro-2-pyrrolidin-3-ylpyrimidine (PubChem CID 67480028) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-fluoro-2-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-pyrrolidin-3-ylpyrimidine
PubChem CID67480028
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name5-fluoro-2-pyrrolidin-3-ylpyrimidine
SMILESFc1cnc(C2CCNC2)nc1
InChIInChI=1S/C8H10FN3/c9-7-4-11-8(12-5-7)6-1-2-10-3-6/h4-6,10H,1-3H2
InChIKeyGDACTNRHNVCJKY-UHFFFAOYSA-N
XLogP0.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 5-fluoro-2-pyrrolidin-3-ylpyrimidine (CID 67480028) is 5-fluoro-2-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-pyrrolidin-3-ylpyrimidine is Fc1cnc(C2CCNC2)nc1.
What is the InChIKey of 5-fluoro-2-pyrrolidin-3-ylpyrimidine?
The InChIKey is GDACTNRHNVCJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c9-7-4-11-8(12-5-7)6-1-2-10-3-6/h4-6,10H,1-3H2.
What are the key properties of 5-fluoro-2-pyrrolidin-3-ylpyrimidine?
5-fluoro-2-pyrrolidin-3-ylpyrimidine has a molecular weight of 167.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 67480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).