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

C15H17N5O2S — CID 128991053

IUPAC(3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1cc2c(N3C[C@@H](O)C[C@@H]3c3nc(C)no3)ncnc2s1
InChIInChI=1S/C15H17N5O2S/c1-3-10-5-11-13(16-7-17-15(11)23-10)20-6-9(21)4-12(20)14-18-8(2)19-22-14/h5,7,9,12,21H,3-4,6H2,1-2H3/t9-,12+/m0/s1
InChIKeyXLNIBBNRJOCOTP-JOYOIKCWSA-N
MW331.40 g/mol
LogP2.26
Rot. Bonds3

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

(3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 128991053) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID128991053
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name(3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1cc2c(N3C[C@@H](O)C[C@@H]3c3nc(C)no3)ncnc2s1
InChIInChI=1S/C15H17N5O2S/c1-3-10-5-11-13(16-7-17-15(11)23-10)20-6-9(21)4-12(20)14-18-8(2)19-22-14/h5,7,9,12,21H,3-4,6H2,1-2H3/t9-,12+/m0/s1
InChIKeyXLNIBBNRJOCOTP-JOYOIKCWSA-N
XLogP2.26
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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
5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128997249
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 63392557
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
CID 66197366
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
(3R,5R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128968551
(3R,5R)-1-[(2,5-dimethylfuran-3-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 128968145
2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31540361
4-(2-benzylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 86214053

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 128991053) is (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CCc1cc2c(N3C[C@@H](O)C[C@@H]3c3nc(C)no3)ncnc2s1.
What is the InChIKey of (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is XLNIBBNRJOCOTP-JOYOIKCWSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-3-10-5-11-13(16-7-17-15(11)23-10)20-6-9(21)4-12(20)14-18-8(2)19-22-14/h5,7,9,12,21H,3-4,6H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 331.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128991053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).