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

C11H17N3O5 — CID 167408612

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol
SMILESCOc1ccnc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H17N3O5/c1-18-8-2-3-12-11(14-8)13-6-5-19-7(4-15)10(17)9(6)16/h2-3,6-7,9-10,15-17H,4-5H2,1H3,(H,12,13,14)/t6-,7+,9+,10-/m0/s1
InChIKeyDPEXANIPMWRXQJ-WDQPUEAGSA-N
MW271.27 g/mol
LogP-1.62
Rot. Bonds4

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol (PubChem CID 167408612) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol
PubChem CID167408612
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol
SMILESCOc1ccnc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H17N3O5/c1-18-8-2-3-12-11(14-8)13-6-5-19-7(4-15)10(17)9(6)16/h2-3,6-7,9-10,15-17H,4-5H2,1H3,(H,12,13,14)/t6-,7+,9+,10-/m0/s1
InChIKeyDPEXANIPMWRXQJ-WDQPUEAGSA-N
XLogP-1.62
TPSA116.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol (CID 167408612) is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol is COc1ccnc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol?
The InChIKey is DPEXANIPMWRXQJ-WDQPUEAGSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-18-8-2-3-12-11(14-8)13-6-5-19-7(4-15)10(17)9(6)16/h2-3,6-7,9-10,15-17H,4-5H2,1H3,(H,12,13,14)/t6-,7+,9+,10-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol has a molecular weight of 271.27 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxypyrimidin-2-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 167408612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).