(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol

C24H25N3O5S — CID 157289838

IUPAC(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol
SMILESCc1ccc(COC[C@H]2O[C@@H](c3csc4c3NC(c3ccccn3)=NC4O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C24H25N3O5S/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16/h2-9,12,17,19-21,24,28-30H,10-11H2,1H3,(H,26,27)/t17-,19-,20-,21+,24?/m1/s1
InChIKeyQGVBJVJCJIMUOP-FGCZOZKISA-N
MW467.55 g/mol
LogP2.69
Rot. Bonds6

About (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol

(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol (PubChem CID 157289838) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol
PubChem CID157289838
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol
SMILESCc1ccc(COC[C@H]2O[C@@H](c3csc4c3NC(c3ccccn3)=NC4O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C24H25N3O5S/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16/h2-9,12,17,19-21,24,28-30H,10-11H2,1H3,(H,26,27)/t17-,19-,20-,21+,24?/m1/s1
InChIKeyQGVBJVJCJIMUOP-FGCZOZKISA-N
XLogP2.69
TPSA116.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol (CID 157289838) is (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol is Cc1ccc(COC[C@H]2O[C@@H](c3csc4c3NC(c3ccccn3)=NC4O)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol?
The InChIKey is QGVBJVJCJIMUOP-FGCZOZKISA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16/h2-9,12,17,19-21,24,28-30H,10-11H2,1H3,(H,26,27)/t17-,19-,20-,21+,24?/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol?
(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol has a molecular weight of 467.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 157289838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).