4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one

C8H12FN3O2 — CID 58166475

IUPAC4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
SMILESCCOCCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O2/c1-2-14-4-3-12-5-6(9)7(10)11-8(12)13/h5H,2-4H2,1H3,(H2,10,11,13)
InChIKeyXMYKCQKWTZKGRI-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.00
Rot. Bonds4

About 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one

4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one (PubChem CID 58166475) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
PubChem CID58166475
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
SMILESCCOCCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O2/c1-2-14-4-3-12-5-6(9)7(10)11-8(12)13/h5H,2-4H2,1H3,(H2,10,11,13)
InChIKeyXMYKCQKWTZKGRI-UHFFFAOYSA-N
XLogP0.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)ethoxymethyl-methylphosphinate
CID 57741162
1-(2-Ethoxyethyl)-4-(ethylamino)-5-fluoropyrimidin-2-one
CID 58166439
ethyl 2-(4-amino-5-fluoro-2-oxopyrimidine-1(2H)-yl)acetate
CID 59336109
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
4-Amino-5-fluoro-1-(2-hydroxyethyl)pyrimidin-2-one
CID 88976011
4-Amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
CID 130330204
4-Amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one
CID 143827367
4-Amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one
CID 137409859
4-Amino-1-(2-methoxyethyl)pyrimidin-2-one
CID 143106493
4-Amino-1-(2-ethoxyethyl)pyrimidin-2-one
CID 144265218
4-Amino-1-(2-methoxyethyl)-5-methylpyrimidin-2-one
CID 144344871
4-Amino-1-(2-propan-2-yloxyethyl)pyrimidin-2-one
CID 168207417

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one (CID 58166475) is 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one is CCOCCn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one?
The InChIKey is XMYKCQKWTZKGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-2-14-4-3-12-5-6(9)7(10)11-8(12)13/h5H,2-4H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one?
4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one has a molecular weight of 201.20 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58166475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).