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

C8H12FN3O2 — CID 80550517

IUPAC2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)Cc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C8H12FN3O2/c1-2-4(10)3-5-11-7(13)6(9)8(14)12-5/h4H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeySORSYFNQWVFOCJ-UHFFFAOYSA-N
MW201.20 g/mol
LogP-0.11
Rot. Bonds3

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

2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550517) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550517
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)Cc1nc(O)c(F)c(=O)[nH]1
InChIInChI=1S/C8H12FN3O2/c1-2-4(10)3-5-11-7(13)6(9)8(14)12-5/h4H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeySORSYFNQWVFOCJ-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550517) is 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is CCC(N)Cc1nc(O)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SORSYFNQWVFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-2-4(10)3-5-11-7(13)6(9)8(14)12-5/h4H,2-3,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 201.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).