6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
TL;DR: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride (CAS 122113-31-9) is a chemical compound with molecular formula C15H24ClN5O and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butan-2-ylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Also Known As: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride, 2-(4-butan-2-ylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride, 2-[4-(Butan-2-yl)piperazin-1-yl]-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1), RefChem:309781
| Molecular Formula | C15H24ClN5O |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 1.3378 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.16693 |
| Heavy Atoms | 22 |
| Complexity | 544.7344 |
Chemical Identifiers
| CAS Number | 122113-31-9 |
|---|---|
| SMILES | CCC(C)N1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C.Cl |
Product Overview
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride (CAS 122113-31-9), with molecular formula C15H24ClN5O and molecular weight 325.17 g/mol. IUPAC: 2-(4-butan-2-ylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
Chemical Property Profile of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
Property Insights of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
The XLogP value of 1.3378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride. With a topological polar surface area (TPSA) of 52.57 Ų, 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride?
The CAS number of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride is 122113-31-9.
What is the molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride?
The molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride is C15H24ClN5O.
What is the molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride?
The molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride is 325.17 g/mol.
Where can I buy 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride?
You can request a quote for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.