1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium

C19H19N2+ — CID 159395086

IUPAC1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium
SMILESCc1ccc(-c2cc(-c3ccccc3C)[n+](C)cn2)cc1
InChIInChI=1S/C19H19N2/c1-14-8-10-16(11-9-14)18-12-19(21(3)13-20-18)17-7-5-4-6-15(17)2/h4-13H,1-3H3/q+1
InChIKeyMGWBCVWKQBSCSB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.86
Rot. Bonds2

About 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium

1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium (PubChem CID 159395086) has the molecular formula C19H19N2+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium.

Molecular Properties

Compound Name1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium
PubChem CID159395086
Molecular FormulaC19H19N2+
Molecular Weight275.38 g/mol
Exact Mass275.15
IUPAC Name1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium
SMILESCc1ccc(-c2cc(-c3ccccc3C)[n+](C)cn2)cc1
InChIInChI=1S/C19H19N2/c1-14-8-10-16(11-9-14)18-12-19(21(3)13-20-18)17-7-5-4-6-15(17)2/h4-13H,1-3H3/q+1
InChIKeyMGWBCVWKQBSCSB-UHFFFAOYSA-N
XLogP3.86
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenyl)-2-phenylpyridine
CID 58435073
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
1-methyl-4-(11-methyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)-2-(2-methylphenyl)pyridin-1-ium
CID 140861442
1,4-dimethyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium
CID 158624944
2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine
CID 58421094
1-methyl-2-(2-methylphenyl)-5-phenyl-3-(4-phenylphenyl)pyrazin-1-ium
CID 58991462
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium?
The IUPAC name of 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium (CID 159395086) is 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium.
What is the SMILES notation for 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium?
The canonical SMILES for 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium is Cc1ccc(-c2cc(-c3ccccc3C)[n+](C)cn2)cc1.
What is the InChIKey of 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium?
The InChIKey is MGWBCVWKQBSCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2/c1-14-8-10-16(11-9-14)18-12-19(21(3)13-20-18)17-7-5-4-6-15(17)2/h4-13H,1-3H3/q+1.
What are the key properties of 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium?
1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium has a molecular weight of 275.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium is sourced from PubChem (CID 159395086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).