4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C12H13F2N3O3 — CID 72638358

IUPAC4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESC=Cc1cn(C2OC(CO)C(=CF)C2F)c(=O)nc1N
InChIInChI=1S/C12H13F2N3O3/c1-2-6-4-17(12(19)16-10(6)15)11-9(14)7(3-13)8(5-18)20-11/h2-4,8-9,11,18H,1,5H2,(H2,15,16,19)
InChIKeyDSFHFAZUXZMNPL-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.55
Rot. Bonds3

About 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 72638358) has the molecular formula C12H13F2N3O3 and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID72638358
Molecular FormulaC12H13F2N3O3
Molecular Weight285.25 g/mol
Exact Mass285.09
IUPAC Name4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESC=Cc1cn(C2OC(CO)C(=CF)C2F)c(=O)nc1N
InChIInChI=1S/C12H13F2N3O3/c1-2-6-4-17(12(19)16-10(6)15)11-9(14)7(3-13)8(5-18)20-11/h2-4,8-9,11,18H,1,5H2,(H2,15,16,19)
InChIKeyDSFHFAZUXZMNPL-UHFFFAOYSA-N
XLogP0.55
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[4-(fluoromethylidene)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
CID 72638331
3-[4-amino-1-[4-fluoro-3-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoic acid
CID 72638362
4-amino-1-[4-fluoro-3-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 72638365
4-amino-1-[3,4-bis(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]-5-(2-chloroethenyl)pyrimidin-2-one
CID 72638280
4-amino-5-[(E)-2-fluoroethenyl]-1-[3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 142274832
4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250459
4,5-diamino-1-[3,4-bis(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72638305
4-amino-5-but-1-enyl-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 91349371
4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-(2-chloroethenyl)pyrimidin-2-one
CID 57076811
4,5-diamino-1-[3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72638315
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethenyl)pyrimidin-2-one
CID 91372645
4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one
CID 59051696

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 72638358) is 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is C=Cc1cn(C2OC(CO)C(=CF)C2F)c(=O)nc1N.
What is the InChIKey of 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is DSFHFAZUXZMNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3/c1-2-6-4-17(12(19)16-10(6)15)11-9(14)7(3-13)8(5-18)20-11/h2-4,8-9,11,18H,1,5H2,(H2,15,16,19).
What are the key properties of 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 285.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethenyl-1-[3-fluoro-4-(fluoromethylidene)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 72638358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).