2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene

C78H95N17O2S2 — CID 160658402

IUPAC2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccoc1.Cc1ccsc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/3C6H7N.6C5H6N2.2C5H7N.2C5H6O.2C5H6S/c1-6-2-4-7-5-3-6;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;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/h3*2-5H,1H3;6*2-4H,1H3;2*2-4,6H,1H3;4*2-4H,1H3
InChIKeyRLISRYVDEHTUHF-UHFFFAOYSA-N
MW1366.87 g/mol
LogP18.82
Rot. Bonds

About 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene

2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene (PubChem CID 160658402) has the molecular formula C78H95N17O2S2 and a molecular weight of 1366.87 g/mol. Its IUPAC name is 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
PubChem CID160658402
Molecular FormulaC78H95N17O2S2
Molecular Weight1366.87 g/mol
Exact Mass1365.73
IUPAC Name2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
SMILESCc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccoc1.Cc1ccsc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/3C6H7N.6C5H6N2.2C5H7N.2C5H6O.2C5H6S/c1-6-2-4-7-5-3-6;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;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/h3*2-5H,1H3;6*2-4H,1H3;2*2-4,6H,1H3;4*2-4H,1H3
InChIKeyRLISRYVDEHTUHF-UHFFFAOYSA-N
XLogP18.82
TPSA251.21 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001366.87
LogP ≤ 518.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene with MolForge

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Related Compounds

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
[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158118973
[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158864492
2-[4-(1,3-diazinan-1-yl)-5-(furan-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridin-2-ylthiophen-3-yl]pyrimidine
CID 140996912
2-[5-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiophen-3-yl]pyrimidine
CID 141068317
4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazole
CID 141114803
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
CID 141150929
6-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141151562
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine
CID 141203736

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene (CID 160658402) is 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene is Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1ccoc1.Cc1ccsc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.
What is the InChIKey of 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The InChIKey is RLISRYVDEHTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.6C5H6N2.2C5H7N.2C5H6O.2C5H6S/c1-6-2-4-7-5-3-6;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;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/h3*2-5H,1H3;6*2-4H,1H3;2*2-4,6H,1H3;4*2-4H,1H3.
What are the key properties of 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene has a molecular weight of 1366.87 g/mol, XLogP of 18.82, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;3-methylfuran;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 160658402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).