2-methylpyrimidine;toluene

C12H14N2 — CID 157227208

IUPAC2-methylpyrimidine;toluene
SMILESCc1ccccc1.Cc1ncccn1
InChIInChI=1S/C7H8.C5H6N2/c1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h2-6H,1H3;2-4H,1H3
InChIKeyATRHUSGIJCDPKW-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.78
Rot. Bonds

About 2-methylpyrimidine;toluene

2-methylpyrimidine;toluene (PubChem CID 157227208) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methylpyrimidine;toluene.

Molecular Properties

Compound Name2-methylpyrimidine;toluene
PubChem CID157227208
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methylpyrimidine;toluene
SMILESCc1ccccc1.Cc1ncccn1
InChIInChI=1S/C7H8.C5H6N2/c1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h2-6H,1H3;2-4H,1H3
InChIKeyATRHUSGIJCDPKW-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylpyrimidine;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

pyrimidin-2-amine;toluene
CID 157408891
2,4-dimethylpyrimidine;toluene
CID 142206905
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
ethane;2-methylpyridine;toluene
CID 143164268
lithium;hydride;toluene;yttrium
CID 173420254
pyridin-2-ylphosphane;toluene
CID 143762954
bismuthane;toluene
CID 173370039
aluminum toluene
CID 21283935
gold;toluene
CID 159315944
toluene;dihydrochloride
CID 66712893

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimidine;toluene?
The IUPAC name of 2-methylpyrimidine;toluene (CID 157227208) is 2-methylpyrimidine;toluene.
What is the SMILES notation for 2-methylpyrimidine;toluene?
The canonical SMILES for 2-methylpyrimidine;toluene is Cc1ccccc1.Cc1ncccn1.
What is the InChIKey of 2-methylpyrimidine;toluene?
The InChIKey is ATRHUSGIJCDPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H6N2/c1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5/h2-6H,1H3;2-4H,1H3.
What are the key properties of 2-methylpyrimidine;toluene?
2-methylpyrimidine;toluene has a molecular weight of 186.26 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine;toluene is sourced from PubChem (CID 157227208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).