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

C11H18N4O6 — CID 167408705

IUPAC(2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCOc1nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)nc(OC)n1
InChIInChI=1S/C11H18N4O6/c1-19-10-13-9(14-11(15-10)20-2)12-5-4-21-6(3-16)8(18)7(5)17/h5-8,16-18H,3-4H2,1-2H3,(H,12,13,14,15)/t5-,6+,7+,8-/m0/s1
InChIKeyGSEHOQHCZCYXPX-OSMVPFSASA-N
MW302.29 g/mol
LogP-2.22
Rot. Bonds5

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

(2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 167408705) has the molecular formula C11H18N4O6 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID167408705
Molecular FormulaC11H18N4O6
Molecular Weight302.29 g/mol
Exact Mass302.12
IUPAC Name(2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCOc1nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)nc(OC)n1
InChIInChI=1S/C11H18N4O6/c1-19-10-13-9(14-11(15-10)20-2)12-5-4-21-6(3-16)8(18)7(5)17/h5-8,16-18H,3-4H2,1-2H3,(H,12,13,14,15)/t5-,6+,7+,8-/m0/s1
InChIKeyGSEHOQHCZCYXPX-OSMVPFSASA-N
XLogP-2.22
TPSA139.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

DHA+Glc
CID 177546087
DHA+Glc+O
CID 177546101
DACT+Glc
CID 177546103
DACT-HCl+Glc
CID 177546114
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl]amino]oxane-3,4-diol
CID 165180249
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
CID 167408500
(2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 167408808
4-[[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 167524343
(2R,3R,4R,5R)-5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180118
(5R)-5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975718
5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975719
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-isocyano-6-methoxy-1,3,5-triazin-2-yl)amino]oxane-3,4-diol
CID 167408669

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 167408705) is (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is COc1nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)nc(OC)n1.
What is the InChIKey of (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is GSEHOQHCZCYXPX-OSMVPFSASA-N. The full InChI is InChI=1S/C11H18N4O6/c1-19-10-13-9(14-11(15-10)20-2)12-5-4-21-6(3-16)8(18)7(5)17/h5-8,16-18H,3-4H2,1-2H3,(H,12,13,14,15)/t5-,6+,7+,8-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 302.29 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 167408705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).