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[4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide
TL;DR: [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide (CAS 55558-87-7) is a chemical compound with molecular formula C9H10N4O and molecular weight 190.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide
Also Known As: [4-methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide|[4-methyl-6-(2-oxo-propyl)-pyrimidin-2-yl]-cyanamide
| Molecular Formula | C9H10N4O |
|---|---|
| Molecular Weight | 190.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.08546 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 55558-87-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC#N)CC(=O)C |
| InChIKey | UKTADWFKOMTWRG-UHFFFAOYSA-N |
Product Overview
[4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide (CAS 55558-87-7), with molecular formula C9H10N4O and molecular weight 190.09 g/mol. IUPAC: [4-methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide.
Chemical Property Profile of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide
Property Insights of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide. Following Lipinski's Rule of Five, [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide has 1 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 [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide?
The CAS number of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide is 55558-87-7.
What is the molecular formula of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide?
The molecular formula of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide is C9H10N4O.
What is the molecular weight of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide?
The molecular weight of [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide is 190.09 g/mol.
Where can I buy [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide?
You can request a quote for [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide?
Yes, KEHONG BIO provides custom synthesis services for [4-Methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.