(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine

C15H23N3O3 — CID 145143628

IUPAC(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESC[C@H]1[C@@H](O)[C@H](C)O[C@@H]1[C@H](C)O.Cc1ncnc2[nH]ccc12
InChIInChI=1S/C8H16O3.C7H7N3/c1-4-7(10)6(3)11-8(4)5(2)9;1-5-6-2-3-8-7(6)10-4-9-5/h4-10H,1-3H3;2-4H,1H3,(H,8,9,10)/t4-,5-,6-,7+,8-;/m0./s1
InChIKeyMMIFLXCZDMAWMU-LNDRQMDSSA-N
MW293.37 g/mol
LogP1.42
Rot. Bonds1

About (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine

(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 145143628) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID145143628
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESC[C@H]1[C@@H](O)[C@H](C)O[C@@H]1[C@H](C)O.Cc1ncnc2[nH]ccc12
InChIInChI=1S/C8H16O3.C7H7N3/c1-4-7(10)6(3)11-8(4)5(2)9;1-5-6-2-3-8-7(6)10-4-9-5/h4-10H,1-3H3;2-4H,1H3,(H,8,9,10)/t4-,5-,6-,7+,8-;/m0./s1
InChIKeyMMIFLXCZDMAWMU-LNDRQMDSSA-N
XLogP1.42
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 145143628) is (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine is C[C@H]1[C@@H](O)[C@H](C)O[C@@H]1[C@H](C)O.Cc1ncnc2[nH]ccc12.
What is the InChIKey of (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MMIFLXCZDMAWMU-LNDRQMDSSA-N. The full InChI is InChI=1S/C8H16O3.C7H7N3/c1-4-7(10)6(3)11-8(4)5(2)9;1-5-6-2-3-8-7(6)10-4-9-5/h4-10H,1-3H3;2-4H,1H3,(H,8,9,10)/t4-,5-,6-,7+,8-;/m0./s1.
What are the key properties of (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
(2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-[(1S)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol;4-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 145143628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).