3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one

C13H17N3O2S — CID 111461745

IUPAC3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCN1CCC(O)CC1
InChIInChI=1S/C13H17N3O2S/c17-10-1-4-15(5-2-10)6-7-16-9-14-11-3-8-19-12(11)13(16)18/h3,8-10,17H,1-2,4-7H2
InChIKeyVNXXJGDKXBNBCH-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.91
Rot. Bonds3

About 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 111461745) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID111461745
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCN1CCC(O)CC1
InChIInChI=1S/C13H17N3O2S/c17-10-1-4-15(5-2-10)6-7-16-9-14-11-3-8-19-12(11)13(16)18/h3,8-10,17H,1-2,4-7H2
InChIKeyVNXXJGDKXBNBCH-UHFFFAOYSA-N
XLogP0.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111750060
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111497020
3-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39809006
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067
3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62479778
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 111461745) is 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCN1CCC(O)CC1.
What is the InChIKey of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VNXXJGDKXBNBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-10-1-4-15(5-2-10)6-7-16-9-14-11-3-8-19-12(11)13(16)18/h3,8-10,17H,1-2,4-7H2.
What are the key properties of 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 279.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 111461745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).