methane;1-methylpyridin-1-ium;2-methylpyrimidine

C13H22N3+ — CID 162117195

IUPACmethane;1-methylpyridin-1-ium;2-methylpyrimidine
SMILESC.C.C[n+]1ccccc1.Cc1ncccn1
InChIInChI=1S/C6H8N.C5H6N2.2CH4/c1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5;;/h2-6H,1H3;2-4H,1H3;2*1H4/q+1;;;
InChIKeyRHYUNOUWPIIAMQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.57
Rot. Bonds

About methane;1-methylpyridin-1-ium;2-methylpyrimidine

methane;1-methylpyridin-1-ium;2-methylpyrimidine (PubChem CID 162117195) has the molecular formula C13H22N3+ and a molecular weight of 220.34 g/mol. Its IUPAC name is methane;1-methylpyridin-1-ium;2-methylpyrimidine.

Molecular Properties

Compound Namemethane;1-methylpyridin-1-ium;2-methylpyrimidine
PubChem CID162117195
Molecular FormulaC13H22N3+
Molecular Weight220.34 g/mol
Exact Mass220.18
IUPAC Namemethane;1-methylpyridin-1-ium;2-methylpyrimidine
SMILESC.C.C[n+]1ccccc1.Cc1ncccn1
InChIInChI=1S/C6H8N.C5H6N2.2CH4/c1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5;;/h2-6H,1H3;2-4H,1H3;2*1H4/q+1;;;
InChIKeyRHYUNOUWPIIAMQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpyrimidine;toluene
CID 157227208
ethane;2-methylpyrimidine;propane
CID 145481789
2-methylpropane;1-methylpyridin-1-ium
CID 161367015
1-methylpyridin-1-ium;oxozinc;iodide
CID 174764839
2-methylpyrimidine;phosphoric acid
CID 159617160
1-methylpyrazin-1-ium
CID 159890742
2-(1-methylpyridin-1-ium-4-yl)pyrimidine bromide
CID 12629383
2-methylpyrimidine;1-methylpyrrole
CID 19371858
1-methylpyridin-1-ium;tetraiodoplumbane;iodide
CID 174902688
tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
CID 23103331
1-methylpyridin-1-ium;sulfuric acid
CID 67146058
1,2-dimethylpyridin-1-ium;methane
CID 162122842

Frequently Asked Questions

What is the IUPAC name of methane;1-methylpyridin-1-ium;2-methylpyrimidine?
The IUPAC name of methane;1-methylpyridin-1-ium;2-methylpyrimidine (CID 162117195) is methane;1-methylpyridin-1-ium;2-methylpyrimidine.
What is the SMILES notation for methane;1-methylpyridin-1-ium;2-methylpyrimidine?
The canonical SMILES for methane;1-methylpyridin-1-ium;2-methylpyrimidine is C.C.C[n+]1ccccc1.Cc1ncccn1.
What is the InChIKey of methane;1-methylpyridin-1-ium;2-methylpyrimidine?
The InChIKey is RHYUNOUWPIIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.C5H6N2.2CH4/c1-7-5-3-2-4-6-7;1-5-6-3-2-4-7-5;;/h2-6H,1H3;2-4H,1H3;2*1H4/q+1;;;.
What are the key properties of methane;1-methylpyridin-1-ium;2-methylpyrimidine?
methane;1-methylpyridin-1-ium;2-methylpyrimidine has a molecular weight of 220.34 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylpyridin-1-ium;2-methylpyrimidine is sourced from PubChem (CID 162117195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).