(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol

C11H18N4O5 — CID 174153958

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol
SMILESCOc1nc(C)nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H18N4O5/c1-5-12-10(15-11(13-5)19-2)14-6-4-20-7(3-16)9(18)8(6)17/h6-9,16-18H,3-4H2,1-2H3,(H,12,13,14,15)/t6-,7+,8+,9-/m0/s1
InChIKeyQBRDZLBQQLMGPB-KDXUFGMBSA-N
MW286.29 g/mol
LogP-1.92
Rot. Bonds4

About (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol (PubChem CID 174153958) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol
PubChem CID174153958
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol
SMILESCOc1nc(C)nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H18N4O5/c1-5-12-10(15-11(13-5)19-2)14-6-4-20-7(3-16)9(18)8(6)17/h6-9,16-18H,3-4H2,1-2H3,(H,12,13,14,15)/t6-,7+,8+,9-/m0/s1
InChIKeyQBRDZLBQQLMGPB-KDXUFGMBSA-N
XLogP-1.92
TPSA129.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-isocyano-6-methoxypyrimidin-2-yl)amino]oxane-3,4-diol
CID 167408540
5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975464
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
CID 165180135
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
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-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975297

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol (CID 174153958) is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol is COc1nc(C)nc(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-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol?
The InChIKey is QBRDZLBQQLMGPB-KDXUFGMBSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-5-12-10(15-11(13-5)19-2)14-6-4-20-7(3-16)9(18)8(6)17/h6-9,16-18H,3-4H2,1-2H3,(H,12,13,14,15)/t6-,7+,8+,9-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol has a molecular weight of 286.29 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 174153958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).