Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-
TL;DR: Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- (CAS 114370-68-2) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Also Known As: 2-benzyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidine, Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-, 2-Benzyl-5,5-dimethyl-1,4,5,6-tetrahydro-pyrimidin, 2-Benzyl-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-phenylmethylpyrimidine
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 114370-68-2 |
|---|---|
| SMILES | CC1(CNC(=NC1)CC2=CC=CC=C2)C |
| InChIKey | SQMLKRCKXSYMMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- (CAS 114370-68-2), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 2-benzyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
Chemical Property Profile of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-
Property Insights of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-
The XLogP value of 3.8 indicates that Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- has 1 hydrogen bond donor(s) and 1 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 Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-?
The CAS number of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- is 114370-68-2.
What is the molecular formula of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-?
The molecular formula of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- is C13H18N2.
What is the molecular weight of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-?
The molecular weight of Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- is 202.15 g/mol.
Where can I buy Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-?
You can request a quote for Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.