4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C16H16N4OS — CID 155976329

IUPAC4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cnccc1OC1CCN(c2ncnc3sccc23)C1
InChIInChI=1S/C16H16N4OS/c1-11-8-17-5-2-14(11)21-12-3-6-20(9-12)15-13-4-7-22-16(13)19-10-18-15/h2,4-5,7-8,10,12H,3,6,9H2,1H3
InChIKeyYYQCRFPPWQDLKL-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.05
Rot. Bonds3

About 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 155976329) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID155976329
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cnccc1OC1CCN(c2ncnc3sccc23)C1
InChIInChI=1S/C16H16N4OS/c1-11-8-17-5-2-14(11)21-12-3-6-20(9-12)15-13-4-7-22-16(13)19-10-18-15/h2,4-5,7-8,10,12H,3,6,9H2,1H3
InChIKeyYYQCRFPPWQDLKL-UHFFFAOYSA-N
XLogP3.05
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-5-fluoro-6-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrimidine
CID 155975774
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
3-cyclopropyl-5-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 155975703
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126887234
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583426
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 155976329) is 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is Cc1cnccc1OC1CCN(c2ncnc3sccc23)C1.
What is the InChIKey of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is YYQCRFPPWQDLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-8-17-5-2-14(11)21-12-3-6-20(9-12)15-13-4-7-22-16(13)19-10-18-15/h2,4-5,7-8,10,12H,3,6,9H2,1H3.
What are the key properties of 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 312.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 155976329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).