4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane

C11H18FN3O3 — CID 160959975

IUPAC4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
SMILESCC.Nc1nc(=O)n(C2CCC(CO)O2)cc1F
InChIInChI=1S/C9H12FN3O3.C2H6/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7;1-2/h3,5,7,14H,1-2,4H2,(H2,11,12,15);1-2H3
InChIKeySWWRFMQQPJTTAP-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.66
Rot. Bonds2

About 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane

4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane (PubChem CID 160959975) has the molecular formula C11H18FN3O3 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
PubChem CID160959975
Molecular FormulaC11H18FN3O3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
SMILESCC.Nc1nc(=O)n(C2CCC(CO)O2)cc1F
InChIInChI=1S/C9H12FN3O3.C2H6/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7;1-2/h3,5,7,14H,1-2,4H2,(H2,11,12,15);1-2H3
InChIKeySWWRFMQQPJTTAP-UHFFFAOYSA-N
XLogP0.66
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
CID 164882274
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
CID 178041271
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
CID 171505178
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54143614
4-amino-5-fluoro-1-[(2S,6S,8S)-8-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]pyrimidin-2-one
CID 25269718
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965
4-amino-5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 22858382
4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 15124185
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidin-2-one
CID 137477470
4-amino-1-[(2S,5R)-5-(diethoxyphosphorylmethoxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one;4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;diethoxyphosphorylmethyl 4-methylbenzenesulfonate
CID 161486260

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane?
The IUPAC name of 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane (CID 160959975) is 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane.
What is the SMILES notation for 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane?
The canonical SMILES for 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane is CC.Nc1nc(=O)n(C2CCC(CO)O2)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane?
The InChIKey is SWWRFMQQPJTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3.C2H6/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7;1-2/h3,5,7,14H,1-2,4H2,(H2,11,12,15);1-2H3.
What are the key properties of 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane?
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane has a molecular weight of 259.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane is sourced from PubChem (CID 160959975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).