(2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

C13H16N2O5S — CID 90670975

IUPAC(2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(OC)c2scc([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C13H16N2O5S/c1-18-12-11-10(14-13(15-12)19-2)6(5-21-11)8-3-7(17)9(4-16)20-8/h5,7-9,16-17H,3-4H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyDGZNACZAVPABBG-DJLDLDEBSA-N
MW312.35 g/mol
LogP0.89
Rot. Bonds4

About (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 90670975) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID90670975
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name(2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCOc1nc(OC)c2scc([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C13H16N2O5S/c1-18-12-11-10(14-13(15-12)19-2)6(5-21-11)8-3-7(17)9(4-16)20-8/h5,7-9,16-17H,3-4H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyDGZNACZAVPABBG-DJLDLDEBSA-N
XLogP0.89
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 90670975) is (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is COc1nc(OC)c2scc([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1.
What is the InChIKey of (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is DGZNACZAVPABBG-DJLDLDEBSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-18-12-11-10(14-13(15-12)19-2)6(5-21-11)8-3-7(17)9(4-16)20-8/h5,7-9,16-17H,3-4H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 312.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2,4-dimethoxythieno[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 90670975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).