2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol

C9H12N2O4 — CID 20513127

IUPAC2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
SMILESOCC1OC(c2cncnc2)C(O)C1O
InChIInChI=1S/C9H12N2O4/c12-3-6-7(13)8(14)9(15-6)5-1-10-4-11-2-5/h1-2,4,6-9,12-14H,3H2
InChIKeyCDUPAVPCFQIUBY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.37
Rot. Bonds2

About 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol

2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol (PubChem CID 20513127) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
PubChem CID20513127
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
SMILESOCC1OC(c2cncnc2)C(O)C1O
InChIInChI=1S/C9H12N2O4/c12-3-6-7(13)8(14)9(15-6)5-1-10-4-11-2-5/h1-2,4,6-9,12-14H,3H2
InChIKeyCDUPAVPCFQIUBY-UHFFFAOYSA-N
XLogP-1.37
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R,5R)-2-(5-bromo-3-pyridinyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 5274359
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129
(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol
CID 67089170
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(4-pyrimidin-5-yloxyphenyl)methyl]phenyl]oxane-3,4,5-triol
CID 59167837
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-thiophen-3-yloxane-3,4,5-triol
CID 102451889
2-(hydroxymethyl)-6-(3-methylphenyl)oxane-3,4,5-triol
CID 123471125
2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
CID 70309923

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol (CID 20513127) is 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol is OCC1OC(c2cncnc2)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol?
The InChIKey is CDUPAVPCFQIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-3-6-7(13)8(14)9(15-6)5-1-10-4-11-2-5/h1-2,4,6-9,12-14H,3H2.
What are the key properties of 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol?
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol has a molecular weight of 212.21 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol is sourced from PubChem (CID 20513127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).