7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one

C15H24N6OS — CID 70859997

IUPAC7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one
SMILESCCCSc1nc2nc(N3CCNCC3)n(CC)c2c(=O)n1C
InChIInChI=1S/C15H24N6OS/c1-4-10-23-15-18-12-11(13(22)19(15)3)21(5-2)14(17-12)20-8-6-16-7-9-20/h16H,4-10H2,1-3H3
InChIKeyBQPGFJRUKFTRBJ-UHFFFAOYSA-N
MW336.47 g/mol
LogP1.06
Rot. Bonds5

About 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one

7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one (PubChem CID 70859997) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one.

Molecular Properties

Compound Name7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one
PubChem CID70859997
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one
SMILESCCCSc1nc2nc(N3CCNCC3)n(CC)c2c(=O)n1C
InChIInChI=1S/C15H24N6OS/c1-4-10-23-15-18-12-11(13(22)19(15)3)21(5-2)14(17-12)20-8-6-16-7-9-20/h16H,4-10H2,1-3H3
InChIKeyBQPGFJRUKFTRBJ-UHFFFAOYSA-N
XLogP1.06
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-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-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one?
The IUPAC name of 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one (CID 70859997) is 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one.
What is the SMILES notation for 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one?
The canonical SMILES for 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one is CCCSc1nc2nc(N3CCNCC3)n(CC)c2c(=O)n1C.
What is the InChIKey of 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one?
The InChIKey is BQPGFJRUKFTRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-4-10-23-15-18-12-11(13(22)19(15)3)21(5-2)14(17-12)20-8-6-16-7-9-20/h16H,4-10H2,1-3H3.
What are the key properties of 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one?
7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one has a molecular weight of 336.47 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-8-piperazin-1-yl-2-propylsulfanylpurin-6-one is sourced from PubChem (CID 70859997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).