4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one

C6H8FN3O2 — CID 88976011

IUPAC4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(CCO)cc1F
InChIInChI=1S/C6H8FN3O2/c7-4-3-10(1-2-11)6(12)9-5(4)8/h3,11H,1-2H2,(H2,8,9,12)
InChIKeyIRDIGQPANULSMK-UHFFFAOYSA-N
MW173.15 g/mol
LogP-1.04
Rot. Bonds2

About 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one

4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one (PubChem CID 88976011) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one
PubChem CID88976011
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(CCO)cc1F
InChIInChI=1S/C6H8FN3O2/c7-4-3-10(1-2-11)6(12)9-5(4)8/h3,11H,1-2H2,(H2,8,9,12)
InChIKeyIRDIGQPANULSMK-UHFFFAOYSA-N
XLogP-1.04
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one (CID 88976011) is 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one is Nc1nc(=O)n(CCO)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one?
The InChIKey is IRDIGQPANULSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c7-4-3-10(1-2-11)6(12)9-5(4)8/h3,11H,1-2H2,(H2,8,9,12).
What are the key properties of 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one has a molecular weight of 173.15 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one is sourced from PubChem (CID 88976011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).