3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium

C15H14N3+ — CID 123952026

IUPAC3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
SMILESCc1ccccc1-c1c2ncccc2nc[n+]1C
InChIInChI=1S/C15H14N3/c1-11-6-3-4-7-12(11)15-14-13(8-5-9-16-14)17-10-18(15)2/h3-10H,1-2H3/q+1
InChIKeyNESLFENYZNYESG-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.43
Rot. Bonds1

About 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium

3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium (PubChem CID 123952026) has the molecular formula C15H14N3+ and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
PubChem CID123952026
Molecular FormulaC15H14N3+
Molecular Weight236.30 g/mol
Exact Mass236.12
IUPAC Name3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
SMILESCc1ccccc1-c1c2ncccc2nc[n+]1C
InChIInChI=1S/C15H14N3/c1-11-6-3-4-7-12(11)15-14-13(8-5-9-16-14)17-10-18(15)2/h3-10H,1-2H3/q+1
InChIKeyNESLFENYZNYESG-UHFFFAOYSA-N
XLogP2.43
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.43
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

3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
3-methyl-4-(2-methylphenyl)-[1]benzofuro[2,3-d]pyrimidin-3-ium
CID 155610288
4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123191467
8-cyclobutyl-3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 123656345
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
6-cyclopentyl-3-methyl-4-(2-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium
CID 140920848
16-methyl-17-(2-methylphenyl)-14-aza-16-azoniahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13(18),14,16,19,21,23-undecaene
CID 140861521
14-methyl-13-(2-methylphenyl)-11-thia-6-aza-14-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 140871431
CID 169301180
CID 169301180
2-(2-methylphenyl)pyridine
CID 144596153
7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
CID 157133638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium?
The IUPAC name of 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium (CID 123952026) is 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium is Cc1ccccc1-c1c2ncccc2nc[n+]1C.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium?
The InChIKey is NESLFENYZNYESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3/c1-11-6-3-4-7-12(11)15-14-13(8-5-9-16-14)17-10-18(15)2/h3-10H,1-2H3/q+1.
What are the key properties of 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium?
3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium has a molecular weight of 236.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium is sourced from PubChem (CID 123952026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).