2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one

C20H24N4OS — CID 46959379

IUPAC2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C)n(C3CCN(Cc4ccncc4)CC3)c(=O)c2c1C
InChIInChI=1S/C20H24N4OS/c1-13-14(2)26-19-18(13)20(25)24(15(3)22-19)17-6-10-23(11-7-17)12-16-4-8-21-9-5-16/h4-5,8-9,17H,6-7,10-12H2,1-3H3
InChIKeyYAOLMJKZPYQCNU-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.62
Rot. Bonds3

About 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one

2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 46959379) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
PubChem CID46959379
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C)n(C3CCN(Cc4ccncc4)CC3)c(=O)c2c1C
InChIInChI=1S/C20H24N4OS/c1-13-14(2)26-19-18(13)20(25)24(15(3)22-19)17-6-10-23(11-7-17)12-16-4-8-21-9-5-16/h4-5,8-9,17H,6-7,10-12H2,1-3H3
InChIKeyYAOLMJKZPYQCNU-UHFFFAOYSA-N
XLogP3.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one (CID 46959379) is 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(C)n(C3CCN(Cc4ccncc4)CC3)c(=O)c2c1C.
What is the InChIKey of 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YAOLMJKZPYQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13-14(2)26-19-18(13)20(25)24(15(3)22-19)17-6-10-23(11-7-17)12-16-4-8-21-9-5-16/h4-5,8-9,17H,6-7,10-12H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 368.51 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46959379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).