2,4-dimethylpyrimidine;toluene

C13H16N2 — CID 142206905

IUPAC2,4-dimethylpyrimidine;toluene
SMILESCc1ccccc1.Cc1ccnc(C)n1
InChIInChI=1S/C7H8.C6H8N2/c1-7-5-3-2-4-6-7;1-5-3-4-7-6(2)8-5/h2-6H,1H3;3-4H,1-2H3
InChIKeyOEAFOCLBYINPCX-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.09
Rot. Bonds

About 2,4-dimethylpyrimidine;toluene

2,4-dimethylpyrimidine;toluene (PubChem CID 142206905) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,4-dimethylpyrimidine;toluene.

Molecular Properties

Compound Name2,4-dimethylpyrimidine;toluene
PubChem CID142206905
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2,4-dimethylpyrimidine;toluene
SMILESCc1ccccc1.Cc1ccnc(C)n1
InChIInChI=1S/C7H8.C6H8N2/c1-7-5-3-2-4-6-7;1-5-3-4-7-6(2)8-5/h2-6H,1H3;3-4H,1-2H3
InChIKeyOEAFOCLBYINPCX-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethylpyrimidine;toluene 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

CID 159996355
CID 159996355
2-methylpyrimidine;toluene
CID 157227208
2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine
CID 144817888
dichlorotitanium;toluene
CID 174475913
2,4-dimethylpyrimidine;iodomethane;methane;4-methanidyl-2-methylpyrimidine;yttrium
CID 157430590
titanium(2+);toluene
CID 22023820
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
CID 158487474
ethane;2-methylpyridine;toluene
CID 143164268
ethane;2-methyl-1,3-oxazole;toluene
CID 91542594
CID 159109236
CID 159109236
2,10-dimethylazecine
CID 126659012

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimidine;toluene?
The IUPAC name of 2,4-dimethylpyrimidine;toluene (CID 142206905) is 2,4-dimethylpyrimidine;toluene.
What is the SMILES notation for 2,4-dimethylpyrimidine;toluene?
The canonical SMILES for 2,4-dimethylpyrimidine;toluene is Cc1ccccc1.Cc1ccnc(C)n1.
What is the InChIKey of 2,4-dimethylpyrimidine;toluene?
The InChIKey is OEAFOCLBYINPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H8N2/c1-7-5-3-2-4-6-7;1-5-3-4-7-6(2)8-5/h2-6H,1H3;3-4H,1-2H3.
What are the key properties of 2,4-dimethylpyrimidine;toluene?
2,4-dimethylpyrimidine;toluene has a molecular weight of 200.28 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimidine;toluene is sourced from PubChem (CID 142206905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).