[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone

C18H19N3O2S — CID 18153455

IUPAC[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)N3CCCCC3)c(C)c12
InChIInChI=1S/C18H19N3O2S/c1-11-14-12(2)19-16(13-7-6-10-23-13)20-17(14)24-15(11)18(22)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyCCBYSYSVQSTDEO-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.19
Rot. Bonds2

About [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone

[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 18153455) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
PubChem CID18153455
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)N3CCCCC3)c(C)c12
InChIInChI=1S/C18H19N3O2S/c1-11-14-12(2)19-16(13-7-6-10-23-13)20-17(14)24-15(11)18(22)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyCCBYSYSVQSTDEO-UHFFFAOYSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 18153455) is [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone is Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCCCC3)c(C)c12.
What is the InChIKey of [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is CCBYSYSVQSTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-14-12(2)19-16(13-7-6-10-23-13)20-17(14)24-15(11)18(22)21-8-4-3-5-9-21/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone?
[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 18153455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).