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

C11H18N4O3S — CID 142854777

IUPAC(2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCSc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](C)[C@H]2O)c1N
InChIInChI=1S/C11H18N4O3S/c1-5-6(3-16)18-10(8(5)17)15-9-7(12)11(19-2)14-4-13-9/h4-6,8,10,16-17H,3,12H2,1-2H3,(H,13,14,15)/t5-,6-,8-,10-/m1/s1
InChIKeyXYNRFMZUAKNEFG-LTNPLRIYSA-N
MW286.36 g/mol
LogP-0.09
Rot. Bonds4

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

(2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 142854777) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID142854777
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCSc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](C)[C@H]2O)c1N
InChIInChI=1S/C11H18N4O3S/c1-5-6(3-16)18-10(8(5)17)15-9-7(12)11(19-2)14-4-13-9/h4-6,8,10,16-17H,3,12H2,1-2H3,(H,13,14,15)/t5-,6-,8-,10-/m1/s1
InChIKeyXYNRFMZUAKNEFG-LTNPLRIYSA-N
XLogP-0.09
TPSA113.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[[8-(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]oxolane-3,4-diol
CID 14444273
(2R,3R,4S,5S,6R)-2-[[5-amino-2-(dimethylamino)pyrimidin-4-yl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171383933
[(3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxy-methyl-oxophosphanium
CID 155138749
3-amino-5-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1-methylpyrimido[4,5-c]pyridazin-4-one
CID 90467042
methyl 4-chloro-6-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidine-5-carboxylate
CID 10064578
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
CID 7076679
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(7H-purin-6-ylamino)oxane-3,4,5-triol
CID 70184570
(2R,3R,4S,5R)-2-[[6-(dimethylamino)-5-nitropyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 58996356
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol;hydrate
CID 21118760
(3R,4S,5R)-2-(2-amino-4,5-dimethylanilino)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 131883580
(2R,3R,4S,5R)-2-[[6-amino-5-(ethylideneamino)pyrimidin-4-yl]amino]-5-ethyloxolane-3,4-diol
CID 143196372
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(7-methylsulfanylpyrazolo[4,5-d]pyrimidin-1-yl)oxolane-3,4-diol
CID 92527876

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol (CID 142854777) is (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol is CSc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](C)[C@H]2O)c1N.
What is the InChIKey of (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is XYNRFMZUAKNEFG-LTNPLRIYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-5-6(3-16)18-10(8(5)17)15-9-7(12)11(19-2)14-4-13-9/h4-6,8,10,16-17H,3,12H2,1-2H3,(H,13,14,15)/t5-,6-,8-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol?
(2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 286.36 g/mol, XLogP of -0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[(5-amino-6-methylsulfanylpyrimidin-4-yl)amino]-5-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 142854777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).