(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol

C10H15N3O4 — CID 166975537

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ccncn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H15N3O4/c14-3-7-10(16)9(15)6(4-17-7)13-8-1-2-11-5-12-8/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13)/t6-,7-,9-,10+/m1/s1
InChIKeyLTXSXSLSMQENQC-ZXZZCXTASA-N
MW241.25 g/mol
LogP-1.63
Rot. Bonds3

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol (PubChem CID 166975537) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol
PubChem CID166975537
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ccncn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H15N3O4/c14-3-7-10(16)9(15)6(4-17-7)13-8-1-2-11-5-12-8/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13)/t6-,7-,9-,10+/m1/s1
InChIKeyLTXSXSLSMQENQC-ZXZZCXTASA-N
XLogP-1.63
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol (CID 166975537) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol is OC[C@H]1OC[C@@H](Nc2ccncn2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol?
The InChIKey is LTXSXSLSMQENQC-ZXZZCXTASA-N. The full InChI is InChI=1S/C10H15N3O4/c14-3-7-10(16)9(15)6(4-17-7)13-8-1-2-11-5-12-8/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13)/t6-,7-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol has a molecular weight of 241.25 g/mol, XLogP of -1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(pyrimidin-4-ylamino)oxane-3,4-diol is sourced from PubChem (CID 166975537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).