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

C16H19N5OS — CID 95764356

IUPAC4-[(2S)-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-/m0/s1
InChIKeyVNHJCDKHCVFZEU-LBPRGKRZSA-N
MW329.43 g/mol
LogP3.08
Rot. Bonds3

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

4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 95764356) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID95764356
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-[(2S)-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-/m0/s1
InChIKeyVNHJCDKHCVFZEU-LBPRGKRZSA-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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Related Compounds

4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95764357
4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 56778089
4-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 71933046
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481
4-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95341463
7-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95764363
4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 139005528
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 95764356) is 4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2S)-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-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VNHJCDKHCVFZEU-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[(2S)-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-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 95764356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).