(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C14H15N5O2S — CID 129004207

IUPAC(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1noc([C@H]2C[C@@H](O)CN2c2ncnc3sc(C)cc23)n1
InChIInChI=1S/C14H15N5O2S/c1-7-3-10-12(15-6-16-14(10)22-7)19-5-9(20)4-11(19)13-17-8(2)18-21-13/h3,6,9,11,20H,4-5H2,1-2H3/t9-,11-/m1/s1
InChIKeyFUWPAUTUSSYWIZ-MWLCHTKSSA-N
MW317.37 g/mol
LogP2.00
Rot. Bonds2

About (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 129004207) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID129004207
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1noc([C@H]2C[C@@H](O)CN2c2ncnc3sc(C)cc23)n1
InChIInChI=1S/C14H15N5O2S/c1-7-3-10-12(15-6-16-14(10)22-7)19-5-9(20)4-11(19)13-17-8(2)18-21-13/h3,6,9,11,20H,4-5H2,1-2H3/t9-,11-/m1/s1
InChIKeyFUWPAUTUSSYWIZ-MWLCHTKSSA-N
XLogP2.00
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 129004207) is (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is Cc1noc([C@H]2C[C@@H](O)CN2c2ncnc3sc(C)cc23)n1.
What is the InChIKey of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is FUWPAUTUSSYWIZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-7-3-10-12(15-6-16-14(10)22-7)19-5-9(20)4-11(19)13-17-8(2)18-21-13/h3,6,9,11,20H,4-5H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 317.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129004207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).