2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine

C84H109N19O — CID 157275378

IUPAC2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine
SMILESCc1cc(C)c(C)cn1.Cc1cc(C)nc(C)c1.Cc1cc(C)ncn1.Cc1cc[n+]([O-])cc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncn1.Cc1cnc(C)c(C)c1.Cc1cnc(C)nc1.Cc1ncccn1
InChIInChI=1S/3C8H11N.2C7H9N.4C6H8N2.C6H7NO.C6H7N.2C5H6N2/c1-6-4-8(3)9-5-7(6)2;1-6-4-7(2)8(3)9-5-6;1-6-4-7(2)9-8(3)5-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-5-3-6(2)8-4-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h3*4-5H,1-3H3;2*3-5H,1-2H3;4*3-4H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3
InChIKeyAZANQPHWMRCRCI-UHFFFAOYSA-N
MW1400.93 g/mol
LogP17.38
Rot. Bonds

About 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine

2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine (PubChem CID 157275378) has the molecular formula C84H109N19O and a molecular weight of 1400.93 g/mol. Its IUPAC name is 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine.

Molecular Properties

Compound Name2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine
PubChem CID157275378
Molecular FormulaC84H109N19O
Molecular Weight1400.93 g/mol
Exact Mass1399.91
IUPAC Name2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine
SMILESCc1cc(C)c(C)cn1.Cc1cc(C)nc(C)c1.Cc1cc(C)ncn1.Cc1cc[n+]([O-])cc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncn1.Cc1cnc(C)c(C)c1.Cc1cnc(C)nc1.Cc1ncccn1
InChIInChI=1S/3C8H11N.2C7H9N.4C6H8N2.C6H7NO.C6H7N.2C5H6N2/c1-6-4-8(3)9-5-7(6)2;1-6-4-7(2)8(3)9-5-6;1-6-4-7(2)9-8(3)5-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-5-3-6(2)8-4-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h3*4-5H,1-3H3;2*3-5H,1-2H3;4*3-4H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3
InChIKeyAZANQPHWMRCRCI-UHFFFAOYSA-N
XLogP17.38
TPSA258.96 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.93
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine?
The IUPAC name of 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine (CID 157275378) is 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine.
What is the SMILES notation for 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine?
The canonical SMILES for 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine is Cc1cc(C)c(C)cn1.Cc1cc(C)nc(C)c1.Cc1cc(C)ncn1.Cc1cc[n+]([O-])cc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncn1.Cc1cnc(C)c(C)c1.Cc1cnc(C)nc1.Cc1ncccn1.
What is the InChIKey of 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine?
The InChIKey is AZANQPHWMRCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.2C7H9N.4C6H8N2.C6H7NO.C6H7N.2C5H6N2/c1-6-4-8(3)9-5-7(6)2;1-6-4-7(2)8(3)9-5-6;1-6-4-7(2)9-8(3)5-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-5-3-6(2)8-4-7-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h3*4-5H,1-3H3;2*3-5H,1-2H3;4*3-4H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3.
What are the key properties of 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine?
2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine has a molecular weight of 1400.93 g/mol, XLogP of 17.38, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine is sourced from PubChem (CID 157275378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).