2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine
TL;DR: 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine (CAS 43005-09-0) is a chemical compound with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine
Also Known As: 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine, 2,4-Pyrimidinediamine, 5-((7-methoxy-1,3-benzodioxol-5-yl)methyl)-, 2,4-Diamino 5-[3-methoxy-4,5-methylenedioxybenzyl]pyrimidine, 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine, 5-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-2,4-pyrimidinediamine #
| Molecular Formula | C13H14N4O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.1066 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 43005-09-0 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)CC3=CN=C(N=C3N)N |
| InChIKey | DGKKGLAEGKBLCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine (CAS 43005-09-0), with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol. IUPAC: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine
Property Insights of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine. Following Lipinski's Rule of Five, 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine has 2 hydrogen bond donor(s) and 7 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 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine?
The CAS number of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine is 43005-09-0.
What is the molecular formula of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine?
The molecular formula of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine is C13H14N4O3.
What is the molecular weight of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine?
The molecular weight of 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine is 274.11 g/mol.
Where can I buy 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine?
You can request a quote for 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-5-(3-methoxy-4,5-methylenedioxybenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.