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

C14H16N4OS — CID 75433230

IUPAC3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCCc1nccn1CCn1cnc2ccsc2c1=O
InChIInChI=1S/C14H16N4OS/c1-2-3-12-15-5-6-17(12)7-8-18-10-16-11-4-9-20-13(11)14(18)19/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyLQUGVHNOSDYDJT-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.31
Rot. Bonds5

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

3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 75433230) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID75433230
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCCc1nccn1CCn1cnc2ccsc2c1=O
InChIInChI=1S/C14H16N4OS/c1-2-3-12-15-5-6-17(12)7-8-18-10-16-11-4-9-20-13(11)14(18)19/h4-6,9-10H,2-3,7-8H2,1H3
InChIKeyLQUGVHNOSDYDJT-UHFFFAOYSA-N
XLogP2.31
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 75433230) is 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one is CCCc1nccn1CCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LQUGVHNOSDYDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-3-12-15-5-6-17(12)7-8-18-10-16-11-4-9-20-13(11)14(18)19/h4-6,9-10H,2-3,7-8H2,1H3.
What are the key properties of 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 288.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 75433230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).