(2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H17N3O4 — CID 58706071

IUPAC(2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=C1N=C(C)N=C(C)N1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C11H17N3O4/c1-5-12-6(2)14(7(3)13-5)11-10(17)9(16)8(4-15)18-11/h8-11,15-17H,2,4H2,1,3H3/t8-,9+,10?,11-/m1/s1
InChIKeyOIMWRNQORHYRPX-KJLIAQIISA-N
MW255.27 g/mol
LogP-0.95
Rot. Bonds2

About (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 58706071) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID58706071
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=C1N=C(C)N=C(C)N1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C11H17N3O4/c1-5-12-6(2)14(7(3)13-5)11-10(17)9(16)8(4-15)18-11/h8-11,15-17H,2,4H2,1,3H3/t8-,9+,10?,11-/m1/s1
InChIKeyOIMWRNQORHYRPX-KJLIAQIISA-N
XLogP-0.95
TPSA97.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrolidine-2,5-dione
CID 175151629
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
2,8-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 71304070
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-2,5-dimethylpurin-9-yl)oxolane-3,4-diol
CID 174642180
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 129013424
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazolidin-2-one
CID 46876305
(2R,3R,4S,5S,6R)-2-(5,6-dimethylbenzimidazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171384115

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 58706071) is (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is C=C1N=C(C)N=C(C)N1[C@@H]1O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OIMWRNQORHYRPX-KJLIAQIISA-N. The full InChI is InChI=1S/C11H17N3O4/c1-5-12-6(2)14(7(3)13-5)11-10(17)9(16)8(4-15)18-11/h8-11,15-17H,2,4H2,1,3H3/t8-,9+,10?,11-/m1/s1.
What are the key properties of (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 255.27 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-(2,4-dimethyl-6-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 58706071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).