5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C8H10FN3O2 — CID 80550946

IUPAC5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCN2)nc(O)c1F
InChIInChI=1S/C8H10FN3O2/c9-5-7(13)11-6(12-8(5)14)4-2-1-3-10-4/h4,10H,1-3H2,(H2,11,12,13,14)
InChIKeyUPRMVUZCRWYYCQ-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.04
Rot. Bonds1

About 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 80550946) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID80550946
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Name5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCN2)nc(O)c1F
InChIInChI=1S/C8H10FN3O2/c9-5-7(13)11-6(12-8(5)14)4-2-1-3-10-4/h4,10H,1-3H2,(H2,11,12,13,14)
InChIKeyUPRMVUZCRWYYCQ-UHFFFAOYSA-N
XLogP0.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Aminoethyl)-5-fluoropyrimidine-4,6-diol
CID 80550489
2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550517
2-(1-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550665
2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550694
2-(1-amino-2-methylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550723
2-[amino(cyclopropyl)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550788
5-fluoro-4-hydroxy-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 80550853
5-fluoro-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 80550922
5-fluoro-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 80550947
2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550980
5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555350
4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 80550946) is 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCN2)nc(O)c1F.
What is the InChIKey of 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is UPRMVUZCRWYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-5-7(13)11-6(12-8(5)14)4-2-1-3-10-4/h4,10H,1-3H2,(H2,11,12,13,14).
What are the key properties of 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 199.18 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 80550946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).