ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene

C89H149N15O2 — CID 159686848

IUPACethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccoc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C7H8.3C6H7N.6C5H6N2.2C5H6O.12C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;12*1-2/h2-6H,1H3;3*2-5H,1H3;6*2-4H,1H3;2*2-4H,1H3;12*1-2H3
InChIKeyMVXFKFXWSUZQGW-UHFFFAOYSA-N
MW1461.27 g/mol
LogP26.37
Rot. Bonds

About ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene

ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene (PubChem CID 159686848) has the molecular formula C89H149N15O2 and a molecular weight of 1461.27 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
PubChem CID159686848
Molecular FormulaC89H149N15O2
Molecular Weight1461.27 g/mol
Exact Mass1460.20
IUPAC Nameethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccoc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C7H8.3C6H7N.6C5H6N2.2C5H6O.12C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;12*1-2/h2-6H,1H3;3*2-5H,1H3;6*2-4H,1H3;2*2-4H,1H3;12*1-2H3
InChIKeyMVXFKFXWSUZQGW-UHFFFAOYSA-N
XLogP26.37
TPSA219.63 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001461.27
LogP ≤ 526.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-3-methylfuran;2-chloro-3-methylpyridine;1-chloro-2-methylpyrrole;3-methyl-4-(trifluoromethyl)pyridazine;3-methyl-4-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine;bis(5-methyl-4-(trifluoromethyl)pyrimidine)
CID 157413947
(2S)-1-chloro-3-methylbutan-2-ol;1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
CID 157920081
2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
Acetaldehyde;bis(acetonitrile);anisole;benzaldehyde;benzene;tris(benzonitrile);tris(1,1'-biphenyl);2,4-dimethyl-1,3,5-triazine;ethane;fluorobenzene;fluoromethane;methoxymethane;phenoxybenzene;pyrazine;pyridazine;pyridine;pyrimidine;toluene;tris(1,1,1-trifluoroethane);trifluoromethoxybenzene;bis(trifluoromethylbenzene)
CID 160392330
1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
CID 162077463
3-[4-[5-(Furan-2-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 168264473
3-[4-[5-(Furan-3-ylmethyl)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 168264516
1-ethyl-4-({5-[(E)-2-(2-furyl)-1-methylvinyl]-4-phenyl-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 50959239
4-{4-[(2E)-3-(2-furyl)-2-methylprop-2-en-1-yl]piperazin-1-yl}-6-methyl-2-pyridin-3-ylpyrimidine
CID 50971139
4-(2-Methylfuran-3-yl)-5-pyrazin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 92429319
(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine
CID 21075791
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 53257913

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene (CID 159686848) is ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccoc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
The InChIKey is MVXFKFXWSUZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N.6C5H6N2.2C5H6O.12C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;12*1-2/h2-6H,1H3;3*2-5H,1H3;6*2-4H,1H3;2*2-4H,1H3;12*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene has a molecular weight of 1461.27 g/mol, XLogP of 26.37, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene is sourced from PubChem (CID 159686848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).