5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine

C16H18FN3 — CID 130459243

IUPAC5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
SMILESCc1ccc(-c2c(C)ncnc2N2CC(F)C2)c(C)c1
InChIInChI=1S/C16H18FN3/c1-10-4-5-14(11(2)6-10)15-12(3)18-9-19-16(15)20-7-13(17)8-20/h4-6,9,13H,7-8H2,1-3H3
InChIKeyTXTVPMMOQVKSOS-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.23
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine

5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine (PubChem CID 130459243) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
PubChem CID130459243
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
SMILESCc1ccc(-c2c(C)ncnc2N2CC(F)C2)c(C)c1
InChIInChI=1S/C16H18FN3/c1-10-4-5-14(11(2)6-10)15-12(3)18-9-19-16(15)20-7-13(17)8-20/h4-6,9,13H,7-8H2,1-3H3
InChIKeyTXTVPMMOQVKSOS-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine 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-[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyrimidin-5-yl]-3-methylphenol
CID 130459327
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442551
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880
5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine
CID 123472594
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517
2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole
CID 176573759
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
N-(2,4-dimethylphenyl)-2-[3-(5,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 172904076
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
CID 142345663
3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
CID 62018672

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine?
The IUPAC name of 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine (CID 130459243) is 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine is Cc1ccc(-c2c(C)ncnc2N2CC(F)C2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine?
The InChIKey is TXTVPMMOQVKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-10-4-5-14(11(2)6-10)15-12(3)18-9-19-16(15)20-7-13(17)8-20/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine?
5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine has a molecular weight of 271.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 130459243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).