6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine

C18H20N4OS — CID 70746464

IUPAC6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(OCc4cccnc4)C3)ncnc2s1
InChIInChI=1S/C18H20N4OS/c1-13-8-16-17(20-12-21-18(16)24-13)22-7-3-5-15(10-22)23-11-14-4-2-6-19-9-14/h2,4,6,8-9,12,15H,3,5,7,10-11H2,1H3
InChIKeyFUSNVLIGJODXJY-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.58
Rot. Bonds4

About 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine

6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 70746464) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID70746464
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(OCc4cccnc4)C3)ncnc2s1
InChIInChI=1S/C18H20N4OS/c1-13-8-16-17(20-12-21-18(16)24-13)22-7-3-5-15(10-22)23-11-14-4-2-6-19-9-14/h2,4,6,8-9,12,15H,3,5,7,10-11H2,1H3
InChIKeyFUSNVLIGJODXJY-UHFFFAOYSA-N
XLogP3.58
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 70746464) is 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCC(OCc4cccnc4)C3)ncnc2s1.
What is the InChIKey of 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is FUSNVLIGJODXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-8-16-17(20-12-21-18(16)24-13)22-7-3-5-15(10-22)23-11-14-4-2-6-19-9-14/h2,4,6,8-9,12,15H,3,5,7,10-11H2,1H3.
What are the key properties of 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine?
6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 340.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 70746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).