5-fluoro-2-propoxy-1H-pyrimidin-6-one

C7H9FN2O2 — CID 13061620

IUPAC5-fluoro-2-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O2/c1-2-3-12-7-9-4-5(8)6(11)10-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeySSFGHWDREFBVCU-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.70
Rot. Bonds3

About 5-fluoro-2-propoxy-1H-pyrimidin-6-one

5-fluoro-2-propoxy-1H-pyrimidin-6-one (PubChem CID 13061620) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 5-fluoro-2-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-propoxy-1H-pyrimidin-6-one
PubChem CID13061620
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name5-fluoro-2-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1ncc(F)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O2/c1-2-3-12-7-9-4-5(8)6(11)10-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeySSFGHWDREFBVCU-UHFFFAOYSA-N
XLogP0.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-propoxy-1H-pyrimidin-6-one (CID 13061620) is 5-fluoro-2-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-propoxy-1H-pyrimidin-6-one is CCCOc1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-propoxy-1H-pyrimidin-6-one?
The InChIKey is SSFGHWDREFBVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-2-3-12-7-9-4-5(8)6(11)10-7/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 5-fluoro-2-propoxy-1H-pyrimidin-6-one?
5-fluoro-2-propoxy-1H-pyrimidin-6-one has a molecular weight of 172.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 13061620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).