(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol

C12H19N3O3 — CID 66805030

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol
SMILESCc1nc(C)c(C)c(N[C@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C12H19N3O3/c1-6-7(2)13-8(3)14-12(6)15-11-4-9(17)10(5-16)18-11/h9-11,16-17H,4-5H2,1-3H3,(H,13,14,15)/t9-,10+,11+/m0/s1
InChIKeyWXESHDRVNHGYNN-HBNTYKKESA-N
MW253.30 g/mol
LogP0.28
Rot. Bonds3

About (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol

(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol (PubChem CID 66805030) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol
PubChem CID66805030
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol
SMILESCc1nc(C)c(C)c(N[C@H]2C[C@H](O)[C@@H](CO)O2)n1
InChIInChI=1S/C12H19N3O3/c1-6-7(2)13-8(3)14-12(6)15-11-4-9(17)10(5-16)18-11/h9-11,16-17H,4-5H2,1-3H3,(H,13,14,15)/t9-,10+,11+/m0/s1
InChIKeyWXESHDRVNHGYNN-HBNTYKKESA-N
XLogP0.28
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol with MolForge

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Related Compounds

(3R,4S)-4-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]oxolan-3-ol
CID 124204323
(2R,3R,4R,5R)-5-[(6-but-3-enyl-5-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 146249861
[(2R,3R,4R)-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 155138747
[(3R,4R,5R)-3-amino-5-[(5,6-dimethylpyrimidin-4-yl)amino]-4-fluorooxolan-2-yl]methanol
CID 156571211
(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 156571213
1-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
CID 53943756
3-(Hydroxymethyl)-3-[2-[(2,5,6-trimethylpyrimidin-4-yl)amino]ethyl]cyclobutan-1-ol
CID 54028737
(1S,2S,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66804983
(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66805016
(2R,3S,5R)-5-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-(hydroxymethyl)oxolan-3-ol
CID 87159853
[(2R,3S,5R)-3-hydroxy-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-2-yl]methyl sulfamate
CID 87159856
2-[(2,5,6-Trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 90832235

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol (CID 66805030) is (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol is Cc1nc(C)c(C)c(N[C@H]2C[C@H](O)[C@@H](CO)O2)n1.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol?
The InChIKey is WXESHDRVNHGYNN-HBNTYKKESA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-7(2)13-8(3)14-12(6)15-11-4-9(17)10(5-16)18-11/h9-11,16-17H,4-5H2,1-3H3,(H,13,14,15)/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol?
(2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol has a molecular weight of 253.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxolan-3-ol is sourced from PubChem (CID 66805030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).