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

C14H19N3O2S — CID 111750060

IUPAC3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCN1CCCC(CO)C1
InChIInChI=1S/C14H19N3O2S/c18-9-11-2-1-4-16(8-11)5-6-17-10-15-12-3-7-20-13(12)14(17)19/h3,7,10-11,18H,1-2,4-6,8-9H2
InChIKeyGGVRFKAFLKVRAA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.16
Rot. Bonds4

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

3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 111750060) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID111750060
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCN1CCCC(CO)C1
InChIInChI=1S/C14H19N3O2S/c18-9-11-2-1-4-16(8-11)5-6-17-10-15-12-3-7-20-13(12)14(17)19/h3,7,10-11,18H,1-2,4-6,8-9H2
InChIKeyGGVRFKAFLKVRAA-UHFFFAOYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39809006
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168
3-[2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111497020
[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
CID 131893362
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
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-[2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 95780007
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 132936276

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one (CID 111750060) is 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCN1CCCC(CO)C1.
What is the InChIKey of 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GGVRFKAFLKVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-9-11-2-1-4-16(8-11)5-6-17-10-15-12-3-7-20-13(12)14(17)19/h3,7,10-11,18H,1-2,4-6,8-9H2.
What are the key properties of 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 293.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 111750060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).