4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one

C9H12FN3O2 — CID 142441010

IUPAC4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one
SMILESC=C(Nc1nc(=O)n(C)cc1F)OCC
InChIInChI=1S/C9H12FN3O2/c1-4-15-6(2)11-8-7(10)5-13(3)9(14)12-8/h5H,2,4H2,1,3H3,(H,11,12,14)
InChIKeyGEYHENMCFHFDLY-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.84
Rot. Bonds4

About 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one

4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one (PubChem CID 142441010) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one
PubChem CID142441010
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one
SMILESC=C(Nc1nc(=O)n(C)cc1F)OCC
InChIInChI=1S/C9H12FN3O2/c1-4-15-6(2)11-8-7(10)5-13(3)9(14)12-8/h5H,2,4H2,1,3H3,(H,11,12,14)
InChIKeyGEYHENMCFHFDLY-UHFFFAOYSA-N
XLogP0.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 118391654
4-Amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
CID 130330204
4-Amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
CID 130330273
4-(1-Ethoxyethenylamino)-1,5-dimethylpyrimidin-2-one
CID 169635748

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one?
The IUPAC name of 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one (CID 142441010) is 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one is C=C(Nc1nc(=O)n(C)cc1F)OCC.
What is the InChIKey of 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one?
The InChIKey is GEYHENMCFHFDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-4-15-6(2)11-8-7(10)5-13(3)9(14)12-8/h5H,2,4H2,1,3H3,(H,11,12,14).
What are the key properties of 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one?
4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one has a molecular weight of 213.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one is sourced from PubChem (CID 142441010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).