2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C8H12FN3O2 — CID 80550694

IUPAC2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCC(N)c1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C8H12FN3O2/c1-2-3-4(10)6-11-7(13)5(9)8(14)12-6/h4H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyDJJQYUPBGTYMQS-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.41
Rot. Bonds3

About 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550694) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550694
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCC(N)c1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C8H12FN3O2/c1-2-3-4(10)6-11-7(13)5(9)8(14)12-6/h4H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyDJJQYUPBGTYMQS-UHFFFAOYSA-N
XLogP0.41
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550694) is 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is CCCC(N)c1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DJJQYUPBGTYMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-2-3-4(10)6-11-7(13)5(9)8(14)12-6/h4H,2-3,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 201.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).