methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene

C61H75N9O2S2 — CID 159091064

IUPACmethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
SMILESC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccncn1.Cc1ccoc1.Cc1ccsc1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C7H8.3C6H7N.3C5H6N2.2C5H6O.2C5H6S.CH4/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;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;/h2-6H,1H3;3*2-5H,1H3;3*2-4H,1H3;4*2-4H,1H3;1H4
InChIKeyKCBGDMUQERQEAM-UHFFFAOYSA-N
MW1030.47 g/mol
LogP16.45
Rot. Bonds

About methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene

methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene (PubChem CID 159091064) has the molecular formula C61H75N9O2S2 and a molecular weight of 1030.47 g/mol. Its IUPAC name is methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene.

Molecular Properties

Compound Namemethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
PubChem CID159091064
Molecular FormulaC61H75N9O2S2
Molecular Weight1030.47 g/mol
Exact Mass1029.55
IUPAC Namemethane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
SMILESC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccncn1.Cc1ccoc1.Cc1ccsc1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C7H8.3C6H7N.3C5H6N2.2C5H6O.2C5H6S.CH4/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;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;/h2-6H,1H3;3*2-5H,1H3;3*2-4H,1H3;4*2-4H,1H3;1H4
InChIKeyKCBGDMUQERQEAM-UHFFFAOYSA-N
XLogP16.45
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.47
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene with MolForge

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Related Compounds

(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157512391
2,5-Dimethylfuran;3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;3,4,5,6-tetramethylpyridazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,6-trimethyl-1,3,5-triazine
CID 158001969
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
6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;6-ethyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(2-methyl-4-pyridinyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(2-methyl-4-pyridinyl)-6-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 162204434
N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 3649040
5-(Furan-2-yl)-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
CID 141091633
2-[4-(Furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-3-thiophen-2-yl-2-pyridinyl]pyrimidine
CID 141524596
Ethane;1-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)-2-methylprop-2-en-1-one;2-[2-(2-methylprop-2-enoxymethyl)phenyl]pyrimidine;2-[2-(2-methylpropoxymethyl)thiophen-3-yl]pyrimidine
CID 144870356
3-Benzyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;ethane;3-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrazin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-3-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyridin-4-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(pyrimidin-5-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(1,3-thiazol-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-2-ylmethyl)cyclobut-3-ene-1,2-dione;3-[methyl(propan-2-yl)amino]-4-(thiophen-3-ylmethyl)cyclobut-3-ene-1,2-dione
CID 157058579
2,5-Dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157089018
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157116552
but-2-yne;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanimidamide;ethanimidamide;bis(N-ethyl-4,5-dihydro-1H-imidazol-2-amine);2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;N'-methylethanimidamide;2-methylfuran;N-methylimidazolidin-2-imine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;1-piperidin-1-ylethanimine;prop-1-yne;1-pyrrolidin-1-ylethanimine;toluene
CID 157127796

Frequently Asked Questions

What is the IUPAC name of methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?
The IUPAC name of methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene (CID 159091064) is methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene.
What is the SMILES notation for methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?
The canonical SMILES for methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene is C.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccncn1.Cc1ccoc1.Cc1ccsc1.Cc1cncnc1.Cc1ncccn1.
What is the InChIKey of methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?
The InChIKey is KCBGDMUQERQEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N.3C5H6N2.2C5H6O.2C5H6S.CH4/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;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;/h2-6H,1H3;3*2-5H,1H3;3*2-4H,1H3;4*2-4H,1H3;1H4.
What are the key properties of methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?
methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene has a molecular weight of 1030.47 g/mol, XLogP of 16.45, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene is sourced from PubChem (CID 159091064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).