(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol

C10H14FN3O4 — CID 166975297

IUPAC(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ncncc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14FN3O4/c11-5-1-12-4-13-10(5)14-6-3-18-7(2-15)9(17)8(6)16/h1,4,6-9,15-17H,2-3H2,(H,12,13,14)/t6-,7+,8+,9-/m0/s1
InChIKeyQEZVVZYGGWUFJB-KDXUFGMBSA-N
MW259.24 g/mol
LogP-1.49
Rot. Bonds3

About (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166975297) has the molecular formula C10H14FN3O4 and a molecular weight of 259.24 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166975297
Molecular FormulaC10H14FN3O4
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ncncc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14FN3O4/c11-5-1-12-4-13-10(5)14-6-3-18-7(2-15)9(17)8(6)16/h1,4,6-9,15-17H,2-3H2,(H,12,13,14)/t6-,7+,8+,9-/m0/s1
InChIKeyQEZVVZYGGWUFJB-KDXUFGMBSA-N
XLogP-1.49
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180237
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
CID 165180135
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408442
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
CID 166681968
6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione
CID 166975540
5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975464
[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium;methane
CID 159052020
7-[[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]chromen-2-one
CID 147040543
2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939611

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 166975297) is (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2ncncc2F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is QEZVVZYGGWUFJB-KDXUFGMBSA-N. The full InChI is InChI=1S/C10H14FN3O4/c11-5-1-12-4-13-10(5)14-6-3-18-7(2-15)9(17)8(6)16/h1,4,6-9,15-17H,2-3H2,(H,12,13,14)/t6-,7+,8+,9-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 259.24 g/mol, XLogP of -1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166975297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).