4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one
TL;DR: 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one (CAS 63722-86-1) is a chemical compound with molecular formula C11H13N5O and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-4-(benzylamino)-1H-pyrimidin-2-one
Also Known As: 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one, 5,6-diamino-4-(benzylamino)-1H-pyrimidin-2-one, AB-323/25048427, 5,6-diamino-4-[benzylamino]-3-hydropyrimidin-2-one, 2(1H)-Pyrimidinone, 4,5-diamino-6-[(phenylmethyl)amino]-
| Molecular Formula | C11H13N5O |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 0.5464 |
| Topological Polar Surface Area | 109.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.11201 |
| Heavy Atoms | 17 |
| Complexity | 563.81964 |
Chemical Identifiers
| CAS Number | 63722-86-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=O)NC(=C2N)N |
Product Overview
4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one (CAS 63722-86-1), with molecular formula C11H13N5O and molecular weight 231.11 g/mol. IUPAC: 5,6-diamino-4-(benzylamino)-1H-pyrimidin-2-one.
Chemical Property Profile of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one
Property Insights of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one
The XLogP value of 0.5464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one. The TPSA of 109.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one has 4 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 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one?
The CAS number of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one is 63722-86-1.
What is the molecular formula of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one?
The molecular formula of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one is C11H13N5O.
What is the molecular weight of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one?
The molecular weight of 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one is 231.11 g/mol.
Where can I buy 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one?
You can request a quote for 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-diamino-6-(benzylamino)pyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.