2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine

C49H65N15 — CID 157215321

IUPAC2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine
SMILESCc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1ncnc(C)n1
InChIInChI=1S/2C7H9N.5C6H8N2.C5H7N3/c1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4/h2*3-5H,1-2H3;5*3-4H,1-2H3;3H,1-2H3
InChIKeyASIQYFNACFYHJK-UHFFFAOYSA-N
MW864.16 g/mol
LogP9.35
Rot. Bonds

About 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine

2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine (PubChem CID 157215321) has the molecular formula C49H65N15 and a molecular weight of 864.16 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine
PubChem CID157215321
Molecular FormulaC49H65N15
Molecular Weight864.16 g/mol
Exact Mass863.55
IUPAC Name2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine
SMILESCc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1ncnc(C)n1
InChIInChI=1S/2C7H9N.5C6H8N2.C5H7N3/c1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4/h2*3-5H,1-2H3;5*3-4H,1-2H3;3H,1-2H3
InChIKeyASIQYFNACFYHJK-UHFFFAOYSA-N
XLogP9.35
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.16
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine with MolForge

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
N-[5-(4-aminopiperidin-1-yl)-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654463
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-ylquinazoline
CID 872357
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
CID 820817
N-(3-imidazol-1-ylpropyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3467242

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine?
The IUPAC name of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine (CID 157215321) is 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine?
The canonical SMILES for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine is Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1ncnc(C)n1.
What is the InChIKey of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine?
The InChIKey is ASIQYFNACFYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.5C6H8N2.C5H7N3/c1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4/h2*3-5H,1-2H3;5*3-4H,1-2H3;3H,1-2H3.
What are the key properties of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine?
2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine has a molecular weight of 864.16 g/mol, XLogP of 9.35, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine is sourced from PubChem (CID 157215321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).