4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione

C10H13F2N3O3S — CID 146972908

IUPAC4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione
SMILESCC1(O)[C@@H](F)[C@@H](CO)O[C@H]1n1cc(F)c(N)nc1=S
InChIInChI=1S/C10H13F2N3O3S/c1-10(17)6(12)5(3-16)18-8(10)15-2-4(11)7(13)14-9(15)19/h2,5-6,8,16-17H,3H2,1H3,(H2,13,14,19)/t5-,6+,8-,10?/m1/s1
InChIKeyAMUANASVJLJJCV-CJKIYUCSSA-N
MW293.30 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione

4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione (PubChem CID 146972908) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione
PubChem CID146972908
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione
SMILESCC1(O)[C@@H](F)[C@@H](CO)O[C@H]1n1cc(F)c(N)nc1=S
InChIInChI=1S/C10H13F2N3O3S/c1-10(17)6(12)5(3-16)18-8(10)15-2-4(11)7(13)14-9(15)19/h2,5-6,8,16-17H,3H2,1H3,(H2,13,14,19)/t5-,6+,8-,10?/m1/s1
InChIKeyAMUANASVJLJJCV-CJKIYUCSSA-N
XLogP0.31
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]-5-fluoropyrimidine-2-thione
CID 123725885
4-amino-5-fluoro-1-[3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione
CID 123547254
(2R,3R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 90191232
4-amino-1-[(2R,4R,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2-thione
CID 163975137
[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-sulfanylidenepyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-5-[5-fluoro-2,4-bis(sulfanylidene)pyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-5-(5-fluoro-4-oxo-2-sulfanylidenepyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 159037807
4-amino-1-[(2R,3S,4S,5R)-5-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2-thione
CID 166116514
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
4-amino-5-fluoro-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23317943
4-amino-5-[(E)-prop-1-enyl]-1-[3,3,4-trifluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 142274796
5-amino-2-[(3S,4R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1,2,4-triazine-3-thione
CID 160605096
4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 15124185
3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 123966199

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione?
The IUPAC name of 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione (CID 146972908) is 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione?
The canonical SMILES for 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione is CC1(O)[C@@H](F)[C@@H](CO)O[C@H]1n1cc(F)c(N)nc1=S.
What is the InChIKey of 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione?
The InChIKey is AMUANASVJLJJCV-CJKIYUCSSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c1-10(17)6(12)5(3-16)18-8(10)15-2-4(11)7(13)14-9(15)19/h2,5-6,8,16-17H,3H2,1H3,(H2,13,14,19)/t5-,6+,8-,10?/m1/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione?
4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione has a molecular weight of 293.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione is sourced from PubChem (CID 146972908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).