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

C10H8FN3O2 — CID 18432502

IUPAC2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one
SMILESNc1ncc(Oc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)16-8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15)
InChIKeyKEMTVGQSSUIKDV-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.28
Rot. Bonds2

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

2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one (PubChem CID 18432502) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one
PubChem CID18432502
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one
SMILESNc1ncc(Oc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)16-8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15)
InChIKeyKEMTVGQSSUIKDV-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one (CID 18432502) is 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one is Nc1ncc(Oc2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is KEMTVGQSSUIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)16-8-5-13-10(12)14-9(8)15/h1-5H,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one?
2-amino-5-(4-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 2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 18432502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).