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

C13H17N3OS — CID 62479778

IUPAC3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCCC1CCCN1
InChIInChI=1S/C13H17N3OS/c17-13-12-11(5-8-18-12)15-9-16(13)7-2-4-10-3-1-6-14-10/h5,8-10,14H,1-4,6-7H2
InChIKeyKCQBEYHEDQYYEN-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.99
Rot. Bonds4

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

3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 62479778) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID62479778
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCCC1CCCN1
InChIInChI=1S/C13H17N3OS/c17-13-12-11(5-8-18-12)15-9-16(13)7-2-4-10-3-1-6-14-10/h5,8-10,14H,1-4,6-7H2
InChIKeyKCQBEYHEDQYYEN-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102819743
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
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
5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
CID 66309078
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-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
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-(2-piperidin-2-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105331

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 62479778) is 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCCC1CCCN1.
What is the InChIKey of 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KCQBEYHEDQYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13-12-11(5-8-18-12)15-9-16(13)7-2-4-10-3-1-6-14-10/h5,8-10,14H,1-4,6-7H2.
What are the key properties of 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one?
3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62479778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).