4-amino-5-fluoro-1-pentylpyrimidin-2-one

C9H14FN3O — CID 67744398

IUPAC4-amino-5-fluoro-1-pentylpyrimidin-2-one
SMILESCCCCCn1cc(F)c(N)nc1=O
InChIInChI=1S/C9H14FN3O/c1-2-3-4-5-13-6-7(10)8(11)12-9(13)14/h6H,2-5H2,1H3,(H2,11,12,14)
InChIKeyJQXPKAPVQAEUTB-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.15
Rot. Bonds4

About 4-amino-5-fluoro-1-pentylpyrimidin-2-one

4-amino-5-fluoro-1-pentylpyrimidin-2-one (PubChem CID 67744398) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-pentylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-pentylpyrimidin-2-one
PubChem CID67744398
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-amino-5-fluoro-1-pentylpyrimidin-2-one
SMILESCCCCCn1cc(F)c(N)nc1=O
InChIInChI=1S/C9H14FN3O/c1-2-3-4-5-13-6-7(10)8(11)12-9(13)14/h6H,2-5H2,1H3,(H2,11,12,14)
InChIKeyJQXPKAPVQAEUTB-UHFFFAOYSA-N
XLogP1.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-pentylpyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-pentylpyrimidin-2-one (CID 67744398) is 4-amino-5-fluoro-1-pentylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-pentylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-pentylpyrimidin-2-one is CCCCCn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-pentylpyrimidin-2-one?
The InChIKey is JQXPKAPVQAEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-2-3-4-5-13-6-7(10)8(11)12-9(13)14/h6H,2-5H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-5-fluoro-1-pentylpyrimidin-2-one?
4-amino-5-fluoro-1-pentylpyrimidin-2-one has a molecular weight of 199.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-pentylpyrimidin-2-one is sourced from PubChem (CID 67744398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).