2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine

C20H19FN2O — CID 95922976

IUPAC2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
SMILESCc1ccc(COc2nc(-c3ccc(F)cc3)nc(C)c2C)cc1
InChIInChI=1S/C20H19FN2O/c1-13-4-6-16(7-5-13)12-24-20-14(2)15(3)22-19(23-20)17-8-10-18(21)11-9-17/h4-11H,12H2,1-3H3
InChIKeyBNJVZKLFSMFDFW-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.79
Rot. Bonds4

About 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine

2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine (PubChem CID 95922976) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
PubChem CID95922976
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
SMILESCc1ccc(COc2nc(-c3ccc(F)cc3)nc(C)c2C)cc1
InChIInChI=1S/C20H19FN2O/c1-13-4-6-16(7-5-13)12-24-20-14(2)15(3)22-19(23-20)17-8-10-18(21)11-9-17/h4-11H,12H2,1-3H3
InChIKeyBNJVZKLFSMFDFW-UHFFFAOYSA-N
XLogP4.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine
CID 95922989
4,5-dimethyl-6-[(4-methylphenyl)methoxy]-2-propan-2-ylpyrimidine
CID 95922920
N-butyl-2-[2-(4-fluorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetamide
CID 95922975
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5,6-bis[(4-methoxyphenyl)methoxy]-2-(4-methylphenyl)pyrimidine-4-carboxamide
CID 59688020
4,5-dimethyl-6-phenylmethoxy-2-pyrazin-2-ylpyrimidine
CID 95922345
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
methyl 5,6-bis[(4-methoxyphenyl)methoxy]-2-(4-methylphenyl)pyrimidine-4-carboxylate
CID 59688050
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
5-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326357
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine (CID 95922976) is 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine is Cc1ccc(COc2nc(-c3ccc(F)cc3)nc(C)c2C)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine?
The InChIKey is BNJVZKLFSMFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-13-4-6-16(7-5-13)12-24-20-14(2)15(3)22-19(23-20)17-8-10-18(21)11-9-17/h4-11H,12H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine?
2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine has a molecular weight of 322.38 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine is sourced from PubChem (CID 95922976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).