(2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C11H14F2N2O5 — CID 71732377

IUPAC(2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCOc1cc(C(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H14F2N2O5/c1-19-6-2-4(10(12)13)14-11(15-6)9-8(18)7(17)5(3-16)20-9/h2,5,7-10,16-18H,3H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKeyARHCHQYBHLXXPW-ZOQUXTDFSA-N
MW292.24 g/mol
LogP-0.42
Rot. Bonds4

About (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 71732377) has the molecular formula C11H14F2N2O5 and a molecular weight of 292.24 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID71732377
Molecular FormulaC11H14F2N2O5
Molecular Weight292.24 g/mol
Exact Mass292.09
IUPAC Name(2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCOc1cc(C(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H14F2N2O5/c1-19-6-2-4(10(12)13)14-11(15-6)9-8(18)7(17)5(3-16)20-9/h2,5,7-10,16-18H,3H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKeyARHCHQYBHLXXPW-ZOQUXTDFSA-N
XLogP-0.42
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 168087407
2-(beta-D-Ribofuranosyl)-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 71732376
[6-(1,4-Dioxaspiro[4.5]dec-8-yloxy)-2-(trifluoromethyl)pyrimidin-4-yl]methanol
CID 71257801

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 71732377) is (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol is COc1cc(C(F)F)nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ARHCHQYBHLXXPW-ZOQUXTDFSA-N. The full InChI is InChI=1S/C11H14F2N2O5/c1-19-6-2-4(10(12)13)14-11(15-6)9-8(18)7(17)5(3-16)20-9/h2,5,7-10,16-18H,3H2,1H3/t5-,7-,8-,9-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 292.24 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 71732377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).