1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
TL;DR: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one (CAS 16993-71-8) is a chemical compound with molecular formula C6H10N2O3 and molecular weight 158.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
Also Known As: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one, 1,3-Bis(hydroxymethyl)-3,4-dihydropyrimidin-2(1H)-one
| Molecular Formula | C6H10N2O3 |
|---|---|
| Molecular Weight | 158.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.06914 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 16993-71-8 |
|---|---|
| SMILES | C1C=CN(C(=O)N1CO)CO |
| InChIKey | YVFMHWBIGVKOIK-UHFFFAOYSA-N |
Product Overview
1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one (CAS 16993-71-8), with molecular formula C6H10N2O3 and molecular weight 158.07 g/mol. IUPAC: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one.
Chemical Property Profile of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
Property Insights of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
The XLogP value of -0.9 indicates that 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one. Following Lipinski's Rule of Five, 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one has 2 hydrogen bond donor(s) and 3 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 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one?
The CAS number of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one is 16993-71-8.
What is the molecular formula of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one?
The molecular formula of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one is C6H10N2O3.
What is the molecular weight of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one?
The molecular weight of 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one is 158.07 g/mol.
Where can I buy 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one?
You can request a quote for 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.