7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine

C13H17N3OS — CID 155185633

IUPAC7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCSC[C@H]1O[C@@H](n2ccc3cncnc32)C[C@H]1C
InChIInChI=1S/C13H17N3OS/c1-9-5-12(17-11(9)7-18-2)16-4-3-10-6-14-8-15-13(10)16/h3-4,6,8-9,11-12H,5,7H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyZKOVNLVDRVOCGI-YUSALJHKSA-N
MW263.37 g/mol
LogP2.72
Rot. Bonds3

About 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine

7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 155185633) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID155185633
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCSC[C@H]1O[C@@H](n2ccc3cncnc32)C[C@H]1C
InChIInChI=1S/C13H17N3OS/c1-9-5-12(17-11(9)7-18-2)16-4-3-10-6-14-8-15-13(10)16/h3-4,6,8-9,11-12H,5,7H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyZKOVNLVDRVOCGI-YUSALJHKSA-N
XLogP2.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 137490930
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 142650218
(2R,3S,4S)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 70508300
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
ethane;7-(5-ethylcyclooctyl)pyrrolo[2,3-d]pyrimidine
CID 143744456
4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 21350741
[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;propane-2,2-diol
CID 142528248
(2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 90689612
(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
CID 143541297
(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 67142927
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
CID 162768100
(2R,3S,4R,5R)-2-(methoxymethyl)-3-methyl-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 137495462

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine (CID 155185633) is 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine is CSC[C@H]1O[C@@H](n2ccc3cncnc32)C[C@H]1C.
What is the InChIKey of 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is ZKOVNLVDRVOCGI-YUSALJHKSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-5-12(17-11(9)7-18-2)16-4-3-10-6-14-8-15-13(10)16/h3-4,6,8-9,11-12H,5,7H2,1-2H3/t9-,11-,12-/m1/s1.
What are the key properties of 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 263.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155185633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).