(2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone
TL;DR: (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone (CAS 52776-55-3) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-phenylmethanone
Also Known As: 1-benzoyl-2-methyl-1,4,5,6-tetrahydro-pyrimidine, (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone, (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-phenyl-methanone, (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-phenylmethanone
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.9509 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 383.8684 |
Chemical Identifiers
| CAS Number | 52776-55-3 |
|---|---|
| SMILES | CC1=NCCCN1C(=O)C2=CC=CC=C2 |
Product Overview
(2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone (CAS 52776-55-3), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: (2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)-phenylmethanone.
Chemical Property Profile of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone
Property Insights of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone
The XLogP value of 1.9509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone. With a topological polar surface area (TPSA) of 32.67 Ų, (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone has 0 hydrogen bond donor(s) and 2 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-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone?
The CAS number of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone is 52776-55-3.
What is the molecular formula of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone?
The molecular formula of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone is C12H14N2O.
What is the molecular weight of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone?
The molecular weight of (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone is 202.11 g/mol.
Where can I buy (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone?
You can request a quote for (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-5,6-dihydropyrimidin-1(4H)-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.