3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one

C12H15N3O2S — CID 145134248

IUPAC3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1CC1(O)CCNCC1
InChIInChI=1S/C12H15N3O2S/c16-11-9-1-6-18-10(9)14-8-15(11)7-12(17)2-4-13-5-3-12/h1,6,8,13,17H,2-5,7H2
InChIKeyGBWNGQRTZYPLAZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.57
Rot. Bonds2

About 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one

3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 145134248) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID145134248
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1CC1(O)CCNCC1
InChIInChI=1S/C12H15N3O2S/c16-11-9-1-6-18-10(9)14-8-15(11)7-12(17)2-4-13-5-3-12/h1,6,8,13,17H,2-5,7H2
InChIKeyGBWNGQRTZYPLAZ-UHFFFAOYSA-N
XLogP0.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 145134248) is 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1CC1(O)CCNCC1.
What is the InChIKey of 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GBWNGQRTZYPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-11-9-1-6-18-10(9)14-8-15(11)7-12(17)2-4-13-5-3-12/h1,6,8,13,17H,2-5,7H2.
What are the key properties of 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 265.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxypiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 145134248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).