5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine

C8H10FN3O — CID 71643584

IUPAC5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine
SMILESFc1cnc(O[C@H]2CCNC2)nc1
InChIInChI=1S/C8H10FN3O/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-/m0/s1
InChIKeyRFQJHXYKEGROCP-ZETCQYMHSA-N
MW183.19 g/mol
LogP0.36
Rot. Bonds2

About 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine

5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine (PubChem CID 71643584) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine
PubChem CID71643584
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine
SMILESFc1cnc(O[C@H]2CCNC2)nc1
InChIInChI=1S/C8H10FN3O/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-/m0/s1
InChIKeyRFQJHXYKEGROCP-ZETCQYMHSA-N
XLogP0.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine (CID 71643584) is 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine is Fc1cnc(O[C@H]2CCNC2)nc1.
What is the InChIKey of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is RFQJHXYKEGROCP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-/m0/s1.
What are the key properties of 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine?
5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine has a molecular weight of 183.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 71643584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).