bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine

C54H93N15 — CID 157322895

IUPACbis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C6H9N3.6C6H8N2.6C2H6/c1-4-7-5(2)9-6(3)8-4;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;6*1-2/h1-3H3;6*3-4H,1-2H3;6*1-2H3
InChIKeyBEJLBPFLBBNSRG-UHFFFAOYSA-N
MW952.44 g/mol
LogP13.51
Rot. Bonds

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

bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 157322895) has the molecular formula C54H93N15 and a molecular weight of 952.44 g/mol. Its IUPAC name is bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Namebis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine
PubChem CID157322895
Molecular FormulaC54H93N15
Molecular Weight952.44 g/mol
Exact Mass951.77
IUPAC Namebis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C6H9N3.6C6H8N2.6C2H6/c1-4-7-5(2)9-6(3)8-4;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;6*1-2/h1-3H3;6*3-4H,1-2H3;6*1-2H3
InChIKeyBEJLBPFLBBNSRG-UHFFFAOYSA-N
XLogP13.51
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500952.44
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Launch Full Analysis

Related Compounds

1,4,7,10-Tetrakis(4-pyrimidylmethyl)-1,4,7,10-tetraazacyclododecane
CID 118536927
Ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tetrakis(1,1,1-trifluoroethane)
CID 160927620
2,4,6-Tris[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine
CID 58090433
2,4,6-Tris(6-pyridin-2-yl-2-pyridinyl)pyrimidine
CID 58090443
2,4,6-Tris(3,6-dipropylpyrazin-2-yl)pyrimidine
CID 58250635
4-Propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine
CID 58281697
4-Butyl-2-[4-butyl-2-[5-[4-butyl-5-[4-butyl-5-(4-butylpyrimidin-2-yl)pyrimidin-2-yl]pyrimidin-2-yl]pyrazin-2-yl]pyrimidin-5-yl]-5-(4-butylpyrimidin-2-yl)pyrimidine
CID 58281711
2,4,6-Tris(3,6-dipropylpyrazin-2-yl)-1,3,5-triazine
CID 59188412
2,4-Bis(6-pyridin-2-yl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrimidine
CID 71127779
2-Methyl-4,6-di(pyrimidin-2-yl)pyrimidine
CID 118243269
4,6-Di(pyrimidin-2-yl)pyrimidine
CID 118245415
4-Methyl-2,6-di(pyrimidin-2-yl)pyrimidine
CID 118345139

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine (CID 157322895) is bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine is CC.CC.CC.CC.CC.CC.Cc1cc(C)ncn1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nc(C)nc(C)n1.
What is the InChIKey of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is BEJLBPFLBBNSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.6C6H8N2.6C2H6/c1-4-7-5(2)9-6(3)8-4;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;6*1-2/h1-3H3;6*3-4H,1-2H3;6*1-2H3.
What are the key properties of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine?
bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 952.44 g/mol, XLogP of 13.51, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 157322895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).