5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine

C9H12FN3O — CID 71643595

IUPAC5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESFc1cnc(OCC2CCNC2)nc1
InChIInChI=1S/C9H12FN3O/c10-8-4-12-9(13-5-8)14-6-7-1-2-11-3-7/h4-5,7,11H,1-3,6H2
InChIKeyXBBJJDLTZUZKIO-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.60
Rot. Bonds3

About 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine

5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine (PubChem CID 71643595) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine
PubChem CID71643595
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESFc1cnc(OCC2CCNC2)nc1
InChIInChI=1S/C9H12FN3O/c10-8-4-12-9(13-5-8)14-6-7-1-2-11-3-7/h4-5,7,11H,1-3,6H2
InChIKeyXBBJJDLTZUZKIO-UHFFFAOYSA-N
XLogP0.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine (CID 71643595) is 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine is Fc1cnc(OCC2CCNC2)nc1.
What is the InChIKey of 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine?
The InChIKey is XBBJJDLTZUZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-4-12-9(13-5-8)14-6-7-1-2-11-3-7/h4-5,7,11H,1-3,6H2.
What are the key properties of 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine?
5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine has a molecular weight of 197.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(pyrrolidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 71643595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).