butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine

C27H38N2O3 — CID 142157595

IUPACbutane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine
SMILESCC(C)c1ccccc1.CCCC.COc1cc(-c2cncc(C)n2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O3.C9H12.C4H10/c1-9-7-15-8-11(16-9)10-5-12(17-2)14(19-4)13(6-10)18-3;1-8(2)9-6-4-3-5-7-9;1-3-4-2/h5-8H,1-4H3;3-8H,1-2H3;3-4H2,1-2H3
InChIKeyYBGPXDISYDITCV-UHFFFAOYSA-N
MW438.61 g/mol
LogP7.09
Rot. Bonds6

About butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine

butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine (PubChem CID 142157595) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine.

Molecular Properties

Compound Namebutane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine
PubChem CID142157595
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Namebutane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine
SMILESCC(C)c1ccccc1.CCCC.COc1cc(-c2cncc(C)n2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O3.C9H12.C4H10/c1-9-7-15-8-11(16-9)10-5-12(17-2)14(19-4)13(6-10)18-3;1-8(2)9-6-4-3-5-7-9;1-3-4-2/h5-8H,1-4H3;3-8H,1-2H3;3-4H2,1-2H3
InChIKeyYBGPXDISYDITCV-UHFFFAOYSA-N
XLogP7.09
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-methyl-6-(4-phenylphenyl)pyrazine
CID 144588851
5-(3,4-dimethoxy-5-methylphenyl)-6-methyl-N-(1-phenylbutyl)-1,2,4-triazin-3-amine
CID 130318448
2-methyl-6-(2-phenylphenyl)pyrazine
CID 58969440
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 7672970
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
5-[bromo(phenyl)methyl]-1,2,3-trimethoxybenzene
CID 61083701
2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline
CID 129033436
ethyl 2-phenylselanyl-2-(3,4,5-trimethoxyphenyl)acetate
CID 11395726
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 127037314

Frequently Asked Questions

What is the IUPAC name of butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine?
The IUPAC name of butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine (CID 142157595) is butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine.
What is the SMILES notation for butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine?
The canonical SMILES for butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine is CC(C)c1ccccc1.CCCC.COc1cc(-c2cncc(C)n2)cc(OC)c1OC.
What is the InChIKey of butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine?
The InChIKey is YBGPXDISYDITCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.C9H12.C4H10/c1-9-7-15-8-11(16-9)10-5-12(17-2)14(19-4)13(6-10)18-3;1-8(2)9-6-4-3-5-7-9;1-3-4-2/h5-8H,1-4H3;3-8H,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine?
butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine has a molecular weight of 438.61 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cumene;2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazine is sourced from PubChem (CID 142157595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).