7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one

C13H18N4OS — CID 39742457

IUPAC7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCN3CCNCC3)cnc12
InChIInChI=1S/C13H18N4OS/c1-10-8-19-12-11(10)15-9-17(13(12)18)7-6-16-4-2-14-3-5-16/h8-9,14H,2-7H2,1H3
InChIKeyJNFBDZMKZAFJMI-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.67
Rot. Bonds3

About 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one

7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 39742457) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID39742457
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCN3CCNCC3)cnc12
InChIInChI=1S/C13H18N4OS/c1-10-8-19-12-11(10)15-9-17(13(12)18)7-6-16-4-2-14-3-5-16/h8-9,14H,2-7H2,1H3
InChIKeyJNFBDZMKZAFJMI-UHFFFAOYSA-N
XLogP0.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one 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 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one (CID 39742457) is 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CCN3CCNCC3)cnc12.
What is the InChIKey of 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JNFBDZMKZAFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-8-19-12-11(10)15-9-17(13(12)18)7-6-16-4-2-14-3-5-16/h8-9,14H,2-7H2,1H3.
What are the key properties of 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 278.38 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39742457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).