2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

C8H10FN3O4 — CID 58138320

IUPAC2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCOCCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O4/c1-15-2-3-16-8(14)12-4-5(9)6(10)11-7(12)13/h4H,2-3H2,1H3,(H2,10,11,13)
InChIKeyKFCQHWJEIHHVKU-UHFFFAOYSA-N
MW231.18 g/mol
LogP-0.40
Rot. Bonds3

About 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138320) has the molecular formula C8H10FN3O4 and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138320
Molecular FormulaC8H10FN3O4
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCOCCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O4/c1-15-2-3-16-8(14)12-4-5(9)6(10)11-7(12)13/h4H,2-3H2,1H3,(H2,10,11,13)
InChIKeyKFCQHWJEIHHVKU-UHFFFAOYSA-N
XLogP-0.40
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138309
isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138326
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
Hexyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 69975716
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
Prop-2-ynyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 88082361
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017
4-Amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
CID 130330204
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboperoxoate
CID 175013893
2-Methoxyethyl 4-amino-2-oxopyrimidine-1-carboxylate
CID 17901390

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138320) is 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is COCCOC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is KFCQHWJEIHHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4/c1-15-2-3-16-8(14)12-4-5(9)6(10)11-7(12)13/h4H,2-3H2,1H3,(H2,10,11,13).
What are the key properties of 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 231.18 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).