5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine

C11H12N3+ — CID 123928207

IUPAC5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine
SMILESCc1cncnc1-c1cccc[n+]1C
InChIInChI=1S/C11H12N3/c1-9-7-12-8-13-11(9)10-5-3-4-6-14(10)2/h3-8H,1-2H3/q+1
InChIKeyMDIKWJHFWXZSNN-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.28
Rot. Bonds1

About 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine

5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine (PubChem CID 123928207) has the molecular formula C11H12N3+ and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine
PubChem CID123928207
Molecular FormulaC11H12N3+
Molecular Weight186.24 g/mol
Exact Mass186.10
IUPAC Name5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine
SMILESCc1cncnc1-c1cccc[n+]1C
InChIInChI=1S/C11H12N3/c1-9-7-12-8-13-11(9)10-5-3-4-6-14(10)2/h3-8H,1-2H3/q+1
InChIKeyMDIKWJHFWXZSNN-UHFFFAOYSA-N
XLogP1.28
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.28
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

ethane;1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-5-(1-methylpyridin-1-ium-2-yl)pyrimidine;5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine
CID 161308659
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
CID 145493796
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
CID 155692728
ethane;1-methyl-6-(2-methylphenyl)pyrimidin-1-ium;1-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-1-ium;1-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-1-ium;4-methyl-5-(1-methylpyrimidin-1-ium-2-yl)pyrimidine;5-methyl-4-(1-methylpyrimidin-1-ium-2-yl)pyrimidine
CID 161472079
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine?
The IUPAC name of 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine (CID 123928207) is 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine?
The canonical SMILES for 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine is Cc1cncnc1-c1cccc[n+]1C.
What is the InChIKey of 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine?
The InChIKey is MDIKWJHFWXZSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3/c1-9-7-12-8-13-11(9)10-5-3-4-6-14(10)2/h3-8H,1-2H3/q+1.
What are the key properties of 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine?
5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine has a molecular weight of 186.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyridin-1-ium-2-yl)pyrimidine is sourced from PubChem (CID 123928207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).