4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one

C8H12FN3O3 — CID 58166418

IUPAC4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
SMILESCOCCOCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O3/c1-14-2-3-15-5-12-4-6(9)7(10)11-8(12)13/h4H,2-3,5H2,1H3,(H2,10,11,13)
InChIKeyMVNPPICPJJUXBE-UHFFFAOYSA-N
MW217.20 g/mol
LogP-0.41
Rot. Bonds5

About 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one

4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one (PubChem CID 58166418) has the molecular formula C8H12FN3O3 and a molecular weight of 217.20 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
PubChem CID58166418
Molecular FormulaC8H12FN3O3
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Name4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
SMILESCOCCOCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O3/c1-14-2-3-15-5-12-4-6(9)7(10)11-8(12)13/h4H,2-3,5H2,1H3,(H2,10,11,13)
InChIKeyMVNPPICPJJUXBE-UHFFFAOYSA-N
XLogP-0.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one (CID 58166418) is 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one is COCCOCn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one?
The InChIKey is MVNPPICPJJUXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O3/c1-14-2-3-15-5-12-4-6(9)7(10)11-8(12)13/h4H,2-3,5H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one has a molecular weight of 217.20 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 58166418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).