![3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile structure](/static/products/107/107945-65-3.png)
3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile
TL;DR: 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile (CAS 107945-65-3) is a chemical compound with molecular formula C19H20N6O3 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-hydroxy-1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]propanenitrile
Also Known As: 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile, 3-[7-hydroxy-1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]propanenitrile, 3-[7-hydroxy-1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]propanenitrile
| Molecular Formula | C19H20N6O3 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 0.6314 |
| Topological Polar Surface Area | 109.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.1597 |
| Heavy Atoms | 28 |
| Complexity | 1212.1606 |
Chemical Identifiers
| CAS Number | 107945-65-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC#N)O |
Product Overview
3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile (CAS 107945-65-3), with molecular formula C19H20N6O3 and molecular weight 380.16 g/mol. IUPAC: 3-[7-hydroxy-1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]propanenitrile.
Chemical Property Profile of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile
Property Insights of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile
The XLogP value of 0.6314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile. The TPSA of 109.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile has 1 hydrogen bond donor(s) and 6 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 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile?
The CAS number of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile is 107945-65-3.
What is the molecular formula of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile?
The molecular formula of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile is C19H20N6O3.
What is the molecular weight of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile?
The molecular weight of 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile is 380.16 g/mol.
Where can I buy 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile?
You can request a quote for 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(7-hydroxy-1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.