7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C16H15N3O4S — CID 146424583

IUPAC7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H15N3O4S/c1-7-11(20)12(21)13(23-7)8-6-24-14-10(8)18-15(19-16(14)22)9-4-2-3-5-17-9/h2-7,11-13,20-21H,1H3,(H,18,19,22)/t7-,11-,12-,13+/m1/s1
InChIKeyMGFCRXAHKBVEGV-YAUNCSCZSA-N
MW345.38 g/mol
LogP1.23
Rot. Bonds2

About 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146424583) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146424583
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H15N3O4S/c1-7-11(20)12(21)13(23-7)8-6-24-14-10(8)18-15(19-16(14)22)9-4-2-3-5-17-9/h2-7,11-13,20-21H,1H3,(H,18,19,22)/t7-,11-,12-,13+/m1/s1
InChIKeyMGFCRXAHKBVEGV-YAUNCSCZSA-N
XLogP1.23
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 146424583) is 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is C[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O.
What is the InChIKey of 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MGFCRXAHKBVEGV-YAUNCSCZSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-7-11(20)12(21)13(23-7)8-6-24-14-10(8)18-15(19-16(14)22)9-4-2-3-5-17-9/h2-7,11-13,20-21H,1H3,(H,18,19,22)/t7-,11-,12-,13+/m1/s1.
What are the key properties of 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 345.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146424583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).