3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine

C13H21N5OS — CID 66735915

IUPAC3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine
SMILESNCCCc1nc(N2CCNCC2)nc2c1S(=O)CC2
InChIInChI=1S/C13H21N5OS/c14-4-1-2-10-12-11(3-9-20(12)19)17-13(16-10)18-7-5-15-6-8-18/h15H,1-9,14H2
InChIKeyHYFAPTWCNYFRAJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP-0.56
Rot. Bonds4

About 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine

3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine (PubChem CID 66735915) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine
PubChem CID66735915
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine
SMILESNCCCc1nc(N2CCNCC2)nc2c1S(=O)CC2
InChIInChI=1S/C13H21N5OS/c14-4-1-2-10-12-11(3-9-20(12)19)17-13(16-10)18-7-5-15-6-8-18/h15H,1-9,14H2
InChIKeyHYFAPTWCNYFRAJ-UHFFFAOYSA-N
XLogP-0.56
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
The IUPAC name of 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine (CID 66735915) is 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine is NCCCc1nc(N2CCNCC2)nc2c1S(=O)CC2.
What is the InChIKey of 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
The InChIKey is HYFAPTWCNYFRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c14-4-1-2-10-12-11(3-9-20(12)19)17-13(16-10)18-7-5-15-6-8-18/h15H,1-9,14H2.
What are the key properties of 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine?
3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine has a molecular weight of 295.41 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2-piperazin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 66735915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).