[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite

C10H14FN3O4 — CID 170016723

IUPAC[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite
SMILESCNc1ccn(C2OC(COF)CC2O)c(=O)n1
InChIInChI=1S/C10H14FN3O4/c1-12-8-2-3-14(10(16)13-8)9-7(15)4-6(18-9)5-17-11/h2-3,6-7,9,15H,4-5H2,1H3,(H,12,13,16)
InChIKeyBVKPTVRHAGLCCN-UHFFFAOYSA-N
MW259.24 g/mol
LogP-0.17
Rot. Bonds4

About [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite

[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite (PubChem CID 170016723) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite.

Molecular Properties

Compound Name[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite
PubChem CID170016723
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite
SMILESCNc1ccn(C2OC(COF)CC2O)c(=O)n1
InChIInChI=1S/C10H14FN3O4/c1-12-8-2-3-14(10(16)13-8)9-7(15)4-6(18-9)5-17-11/h2-3,6-7,9,15H,4-5H2,1H3,(H,12,13,16)
InChIKeyBVKPTVRHAGLCCN-UHFFFAOYSA-N
XLogP-0.17
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 142053306
N-[1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 10469892
1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 122450152
1-[5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 123936779
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 123150382
2-[(2R,5R)-3,4-dimethoxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]acetaldehyde
CID 59965063
[(2R,3S,4S,5R)-3,4-dihydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 10-hydroxy-9-oxodecanoate
CID 58492744
[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl propan-2-yl hydrogen phosphate
CID 171568409
[3,4-dihydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 8-(hydroxyamino)-8-oxooctanoate
CID 76802981
1-[(2R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 174299087
S-[2-[[(2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 5274663
1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 118966291

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite?
The IUPAC name of [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite (CID 170016723) is [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite.
What is the SMILES notation for [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite?
The canonical SMILES for [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite is CNc1ccn(C2OC(COF)CC2O)c(=O)n1.
What is the InChIKey of [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite?
The InChIKey is BVKPTVRHAGLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4/c1-12-8-2-3-14(10(16)13-8)9-7(15)4-6(18-9)5-17-11/h2-3,6-7,9,15H,4-5H2,1H3,(H,12,13,16).
What are the key properties of [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite?
[4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite has a molecular weight of 259.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hypofluorite is sourced from PubChem (CID 170016723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).