5-methoxypyrimidine;toluene

C12H14N2O — CID 174259808

IUPAC5-methoxypyrimidine;toluene
SMILESCOc1cncnc1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H6N2O/c1-7-5-3-2-4-6-7;1-8-5-2-6-4-7-3-5/h2-6H,1H3;2-4H,1H3
InChIKeyJRDKBIYHXPFSRZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.48
Rot. Bonds1

About 5-methoxypyrimidine;toluene

5-methoxypyrimidine;toluene (PubChem CID 174259808) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methoxypyrimidine;toluene.

Molecular Properties

Compound Name5-methoxypyrimidine;toluene
PubChem CID174259808
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-methoxypyrimidine;toluene
SMILESCOc1cncnc1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H6N2O/c1-7-5-3-2-4-6-7;1-8-5-2-6-4-7-3-5/h2-6H,1H3;2-4H,1H3
InChIKeyJRDKBIYHXPFSRZ-UHFFFAOYSA-N
XLogP2.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxypyrimidine;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

anisole;ethane;methoxymethane;toluene
CID 91157363
anisole;ethane;methane;toluene
CID 162203446
ruthenium;toluene;trihydrochloride
CID 174723656
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
2,4-dimethoxypyridine;toluene
CID 174791067
methyl hypochlorite;toluene
CID 67768614
oxomercury;toluene
CID 174717666
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrimidine;toluene?
The IUPAC name of 5-methoxypyrimidine;toluene (CID 174259808) is 5-methoxypyrimidine;toluene.
What is the SMILES notation for 5-methoxypyrimidine;toluene?
The canonical SMILES for 5-methoxypyrimidine;toluene is COc1cncnc1.Cc1ccccc1.
What is the InChIKey of 5-methoxypyrimidine;toluene?
The InChIKey is JRDKBIYHXPFSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H6N2O/c1-7-5-3-2-4-6-7;1-8-5-2-6-4-7-3-5/h2-6H,1H3;2-4H,1H3.
What are the key properties of 5-methoxypyrimidine;toluene?
5-methoxypyrimidine;toluene has a molecular weight of 202.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrimidine;toluene is sourced from PubChem (CID 174259808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).