3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one

C13H17N3OS — CID 116620730

IUPAC3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCCN1CCCC1
InChIInChI=1S/C13H17N3OS/c17-13-12-11(4-9-18-12)14-10-16(13)8-3-7-15-5-1-2-6-15/h4,9-10H,1-3,5-8H2
InChIKeyXWJJGCDWNWAVPC-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.94
Rot. Bonds4

About 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one

3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 116620730) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID116620730
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCCN1CCCC1
InChIInChI=1S/C13H17N3OS/c17-13-12-11(4-9-18-12)14-10-16(13)8-3-7-15-5-1-2-6-15/h4,9-10H,1-3,5-8H2
InChIKeyXWJJGCDWNWAVPC-UHFFFAOYSA-N
XLogP1.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62479778
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111750060
3-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39809006
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421
3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
CID 62563244
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 116620730) is 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCCN1CCCC1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XWJJGCDWNWAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13-12-11(4-9-18-12)14-10-16(13)8-3-7-15-5-1-2-6-15/h4,9-10H,1-3,5-8H2.
What are the key properties of 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 116620730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).