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

C70H90N16O — CID 157142796

IUPAC2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine
SMILESCc1cc(C)nc(C)c1.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/2C8H11N.2C7H9N.3C6H8N2.C6H7NO.C6H7N.2C5H6N2/c1-6-4-7(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;1-5-3-7-6(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/h2*4-5H,1-3H3;2*3-5H,1-2H3;3*3-4H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3
InChIKeyAKJKMHHNDIBRQB-UHFFFAOYSA-N
MW1171.60 g/mol
LogP14.28
Rot. Bonds

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

2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine (PubChem CID 157142796) has the molecular formula C70H90N16O and a molecular weight of 1171.60 g/mol. Its IUPAC name is 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine.

Molecular Properties

Compound Name2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine
PubChem CID157142796
Molecular FormulaC70H90N16O
Molecular Weight1171.60 g/mol
Exact Mass1170.75
IUPAC Name2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine
SMILESCc1cc(C)nc(C)c1.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/2C8H11N.2C7H9N.3C6H8N2.C6H7NO.C6H7N.2C5H6N2/c1-6-4-7(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;1-5-3-7-6(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/h2*4-5H,1-3H3;2*3-5H,1-2H3;3*3-4H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-4H,1H3
InChIKeyAKJKMHHNDIBRQB-UHFFFAOYSA-N
XLogP14.28
TPSA220.29 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.60
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N,N-dimethyl-2-(4-{7-[4-({4-[5-(1-oxidopyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl}piperazin-1-yl)ethanamine
CID 11672049
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 3477788
N-Methyl-N-(phenylmethyl)-2,6-di-2-pyridinyl-4-pyrimidinamine
CID 3515364
2-phenyl-6-pyridin-3-yl-N-pyridin-4-ylpyrimidin-4-amine
CID 3590844
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
CID 3608410
2-(2,6-dipyridin-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 4174337
4-Piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4187625
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4348221

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine?
The IUPAC name of 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine (CID 157142796) is 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-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-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine?
The canonical SMILES for 2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine is Cc1cc(C)nc(C)c1.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-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine?
The InChIKey is AKJKMHHNDIBRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.2C7H9N.3C6H8N2.C6H7NO.C6H7N.2C5H6N2/c1-6-4-7(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;1-5-3-7-6(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/h2*4-5H,1-3H3;2*3-5H,1-2H3;3*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-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine?
2,4-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine has a molecular weight of 1171.60 g/mol, XLogP of 14.28, 0 rotatable bonds, 0 hydrogen bond donors, and 16 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-methyl-1-oxidopyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2,3,5-trimethylpyridine;2,4,6-trimethylpyridine is sourced from PubChem (CID 157142796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).