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

C10H15ClN4O5 — CID 167408808

IUPAC(2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCOc1nc(Cl)nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C10H15ClN4O5/c1-19-10-14-8(11)13-9(15-10)12-4-3-20-5(2-16)7(18)6(4)17/h4-7,16-18H,2-3H2,1H3,(H,12,13,14,15)/t4-,5+,6+,7-/m0/s1
InChIKeyVOHUNHCDYQWOMQ-WNJXEPBRSA-N
MW306.71 g/mol
LogP-1.57
Rot. Bonds4

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

(2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 167408808) has the molecular formula C10H15ClN4O5 and a molecular weight of 306.71 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID167408808
Molecular FormulaC10H15ClN4O5
Molecular Weight306.71 g/mol
Exact Mass306.07
IUPAC Name(2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCOc1nc(Cl)nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C10H15ClN4O5/c1-19-10-14-8(11)13-9(15-10)12-4-3-20-5(2-16)7(18)6(4)17/h4-7,16-18H,2-3H2,1H3,(H,12,13,14,15)/t4-,5+,6+,7-/m0/s1
InChIKeyVOHUNHCDYQWOMQ-WNJXEPBRSA-N
XLogP-1.57
TPSA129.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

DHA+Glc
CID 177546087
DHA+Glc+O
CID 177546101
DACT+Glc
CID 177546103
(2R,3R,4R,5S)-5-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 167408705
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
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-methoxy-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]oxane-3,4-diol
CID 167408741
4-[[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-6-isocyano-1,3,5-triazine-2-carbonitrile
CID 168087409
(2R,3R,4R,5S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-[2-[2-(methylamino)ethoxy]ethoxymethyl]oxane-3,4-diol
CID 171611936

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 167408808) is (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-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-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is COc1nc(Cl)nc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is VOHUNHCDYQWOMQ-WNJXEPBRSA-N. The full InChI is InChI=1S/C10H15ClN4O5/c1-19-10-14-8(11)13-9(15-10)12-4-3-20-5(2-16)7(18)6(4)17/h4-7,16-18H,2-3H2,1H3,(H,12,13,14,15)/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 306.71 g/mol, XLogP of -1.57, 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)-5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 167408808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).