6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione

C9H14N4O6 — CID 166975540

IUPAC6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(N[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O6/c14-1-4-6(16)5(15)3(2-19-4)10-7-11-8(17)13-9(18)12-7/h3-6,14-16H,1-2H2,(H3,10,11,12,13,17,18)/t3-,4-,5-,6+/m1/s1
InChIKeyOOMXWWPFPQWDAU-KAZBKCHUSA-N
MW274.23 g/mol
LogP-3.65
Rot. Bonds3

About 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione

6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione (PubChem CID 166975540) has the molecular formula C9H14N4O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione
PubChem CID166975540
Molecular FormulaC9H14N4O6
Molecular Weight274.23 g/mol
Exact Mass274.09
IUPAC Name6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(N[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O6/c14-1-4-6(16)5(15)3(2-19-4)10-7-11-8(17)13-9(18)12-7/h3-6,14-16H,1-2H2,(H3,10,11,12,13,17,18)/t3-,4-,5-,6+/m1/s1
InChIKeyOOMXWWPFPQWDAU-KAZBKCHUSA-N
XLogP-3.65
TPSA160.56 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.23
LogP ≤ 5-3.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
7-[[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]chromen-2-one
CID 147040543
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]oxane-3,4-diol
CID 174153958
(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
(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975297
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(4-nitro-2,1,3-benzothiadiazol-7-yl)amino]oxane-3,4-diol
CID 155694612

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione (CID 166975540) is 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione is O=c1nc(N[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is OOMXWWPFPQWDAU-KAZBKCHUSA-N. The full InChI is InChI=1S/C9H14N4O6/c14-1-4-6(16)5(15)3(2-19-4)10-7-11-8(17)13-9(18)12-7/h3-6,14-16H,1-2H2,(H3,10,11,12,13,17,18)/t3-,4-,5-,6+/m1/s1.
What are the key properties of 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione?
6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 274.23 g/mol, XLogP of -3.65, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 166975540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).