4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C16H19N5OS — CID 95764357

IUPAC4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1c([C@H]2CCCN2c2ncnc3sccc23)c(C)nn1C
InChIInChI=1S/C16H19N5OS/c1-10-13(16(22-3)20(2)19-10)12-5-4-7-21(12)14-11-6-8-23-15(11)18-9-17-14/h6,8-9,12H,4-5,7H2,1-3H3/t12-/m1/s1
InChIKeyVNHJCDKHCVFZEU-GFCCVEGCSA-N
MW329.43 g/mol
LogP3.08
Rot. Bonds3

About 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 95764357) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID95764357
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1c([C@H]2CCCN2c2ncnc3sccc23)c(C)nn1C
InChIInChI=1S/C16H19N5OS/c1-10-13(16(22-3)20(2)19-10)12-5-4-7-21(12)14-11-6-8-23-15(11)18-9-17-14/h6,8-9,12H,4-5,7H2,1-3H3/t12-/m1/s1
InChIKeyVNHJCDKHCVFZEU-GFCCVEGCSA-N
XLogP3.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 95764357) is 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is COc1c([C@H]2CCCN2c2ncnc3sccc23)c(C)nn1C.
What is the InChIKey of 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VNHJCDKHCVFZEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10-13(16(22-3)20(2)19-10)12-5-4-7-21(12)14-11-6-8-23-15(11)18-9-17-14/h6,8-9,12H,4-5,7H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 329.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 95764357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).