3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol

C15H19FN2O4S2 — CID 90955413

IUPAC3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol
SMILESCOCC1OC(O)(c2scc3c(SC)ncnc23)C(C)(F)C1OC
InChIInChI=1S/C15H19FN2O4S2/c1-14(16)11(21-3)9(5-20-2)22-15(14,19)12-10-8(6-24-12)13(23-4)18-7-17-10/h6-7,9,11,19H,5H2,1-4H3
InChIKeySPJFNHLQJZXSDR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.35
Rot. Bonds5

About 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol

3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol (PubChem CID 90955413) has the molecular formula C15H19FN2O4S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol
PubChem CID90955413
Molecular FormulaC15H19FN2O4S2
Molecular Weight374.46 g/mol
Exact Mass374.08
IUPAC Name3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol
SMILESCOCC1OC(O)(c2scc3c(SC)ncnc23)C(C)(F)C1OC
InChIInChI=1S/C15H19FN2O4S2/c1-14(16)11(21-3)9(5-20-2)22-15(14,19)12-10-8(6-24-12)13(23-4)18-7-17-10/h6-7,9,11,19H,5H2,1-4H3
InChIKeySPJFNHLQJZXSDR-UHFFFAOYSA-N
XLogP2.35
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol?
The IUPAC name of 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol (CID 90955413) is 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol.
What is the SMILES notation for 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol?
The canonical SMILES for 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol is COCC1OC(O)(c2scc3c(SC)ncnc23)C(C)(F)C1OC.
What is the InChIKey of 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol?
The InChIKey is SPJFNHLQJZXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S2/c1-14(16)11(21-3)9(5-20-2)22-15(14,19)12-10-8(6-24-12)13(23-4)18-7-17-10/h6-7,9,11,19H,5H2,1-4H3.
What are the key properties of 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol?
3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol has a molecular weight of 374.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyl-2-(4-methylsulfanylthieno[3,4-d]pyrimidin-7-yl)oxolan-2-ol is sourced from PubChem (CID 90955413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).