4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one

C10H8FN3O2 — CID 114578605

IUPAC4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
SMILESNc1ccc(F)cc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C10H8FN3O2/c11-6-1-2-7(12)8(3-6)16-10-4-9(15)13-5-14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyGSTKKXTUDOXCSB-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.28
Rot. Bonds2

About 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one

4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one (PubChem CID 114578605) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
PubChem CID114578605
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
SMILESNc1ccc(F)cc1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C10H8FN3O2/c11-6-1-2-7(12)8(3-6)16-10-4-9(15)13-5-14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyGSTKKXTUDOXCSB-UHFFFAOYSA-N
XLogP1.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-fluorophenyl) N-methylcarbamate
CID 131022486
5-amino-4-(3-amino-4-fluorophenoxy)-1H-pyrimidin-6-one
CID 146290894
5-(2-fluoro-3-isocyanophenoxy)-4-methyl-1H-pyrimidin-6-one
CID 149153873
4-Fluoro-2-[(methylideneamino)methoxy]aniline
CID 163859178
6-[[5-fluoro-2-(methylideneamino)phenoxy]methyl]-1H-pyridin-2-one
CID 176701045
4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241073
4-(4-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241147
4-(3-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241184
4-(2-amino-4-bromo-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 103483615
4-(2-amino-4-bromo-5-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 103483617
4-(2-amino-4-bromo-5-fluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103483619
5-amino-4-(2-amino-4-bromo-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 103483712

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one (CID 114578605) is 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one is Nc1ccc(F)cc1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is GSTKKXTUDOXCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-1-2-7(12)8(3-6)16-10-4-9(15)13-5-14-10/h1-5H,12H2,(H,13,14,15).
What are the key properties of 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one?
4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one has a molecular weight of 221.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).