4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

C21H23N3O2S — CID 127043637

IUPAC4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C
InChIInChI=1S/C21H23N3O2S/c1-13-14(2)27-21-19(13)20(22-12-23-21)24-8-5-16(6-9-24)26-17-3-4-18-15(11-17)7-10-25-18/h3-4,11-12,16H,5-10H2,1-2H3
InChIKeyRIAMCTAIJWFTNA-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.29
Rot. Bonds3

About 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 127043637) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID127043637
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C
InChIInChI=1S/C21H23N3O2S/c1-13-14(2)27-21-19(13)20(22-12-23-21)24-8-5-16(6-9-24)26-17-3-4-18-15(11-17)7-10-25-18/h3-4,11-12,16H,5-10H2,1-2H3
InChIKeyRIAMCTAIJWFTNA-UHFFFAOYSA-N
XLogP4.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 127043637) is 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C.
What is the InChIKey of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is RIAMCTAIJWFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-14(2)27-21-19(13)20(22-12-23-21)24-8-5-16(6-9-24)26-17-3-4-18-15(11-17)7-10-25-18/h3-4,11-12,16H,5-10H2,1-2H3.
What are the key properties of 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 381.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 127043637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).