2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene

C51H72N4OS3 — CID 158565019

IUPAC2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1ccc(C(C)C)s1.Cc1ccc(C)s1.Cc1ccnc(C)c1C.Cc1cncc(C)c1C.Cc1ncnc(C)c1C
InChIInChI=1S/2C8H11N.C8H12S.C7H10N2.C7H10O.C7H10S.C6H8S/c1-6-4-9-5-7(2)8(6)3;1-6-4-5-9-8(3)7(6)2;1-6(2)8-5-4-7(3)9-8;1-5-6(2)8-4-9-7(5)3;2*1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)7-5/h2*4-5H,1-3H3;4-6H,1-3H3;4H,1-3H3;2*4H,1-3H3;3-4H,1-2H3
InChIKeyHRJBWYARKGEBEH-UHFFFAOYSA-N
MW853.36 g/mol
LogP15.84
Rot. Bonds1

About 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene

2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene (PubChem CID 158565019) has the molecular formula C51H72N4OS3 and a molecular weight of 853.36 g/mol. Its IUPAC name is 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene
PubChem CID158565019
Molecular FormulaC51H72N4OS3
Molecular Weight853.36 g/mol
Exact Mass852.49
IUPAC Name2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1ccc(C(C)C)s1.Cc1ccc(C)s1.Cc1ccnc(C)c1C.Cc1cncc(C)c1C.Cc1ncnc(C)c1C
InChIInChI=1S/2C8H11N.C8H12S.C7H10N2.C7H10O.C7H10S.C6H8S/c1-6-4-9-5-7(2)8(6)3;1-6-4-5-9-8(3)7(6)2;1-6(2)8-5-4-7(3)9-8;1-5-6(2)8-4-9-7(5)3;2*1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)7-5/h2*4-5H,1-3H3;4-6H,1-3H3;4H,1-3H3;2*4H,1-3H3;3-4H,1-2H3
InChIKeyHRJBWYARKGEBEH-UHFFFAOYSA-N
XLogP15.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.36
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene with MolForge

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Related Compounds

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
2,5-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
2,5-Dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);bis(2,6-dimethyl-1,2,3,4-tetrahydronaphthalene);2,5-dimethylthiophene;bis(1,2,3,7,8-pentamethylnaphthalene);1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 157142278
4-Dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-methylpyrimidine;4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-2-methylpyrimidine;4-dibenzothiophen-4-yl-2-methyl-6-pyridin-4-ylpyrimidine
CID 157253251
2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 157353944
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;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 157482357
2-Propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157492210
1,2,4,5-tetramethylimidazole;1,2,4-trimethylbenzene;(3S,4S)-1,3,4-trimethylcyclopentene;2,3,5-trimethylfuran;2,3,5-trimethylpyridine;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
CID 157508879
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157547111
3,5-Dimethylaniline;2,4-dimethylfuran;2,5-dimethyl-4-propan-2-ylpyrimidine;2,5-dimethylpyridine;1,3-dimethylpyrrole;2,4-dimethylthiophene;2,5-dimethylthiophene;2,3,5,6-tetramethylpyridine;1,4-xylene
CID 157632869
2-Methylfuran;3-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
CID 157633645
Benzene;dibenzofuran;dibenzothiophene;ethane;bis(9-methylcarbazole);2-methyl-4,6-diphenyl-1,3,5-triazine;bis(pyridine);pyrimidine;toluene
CID 157728675

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene?
The IUPAC name of 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene (CID 158565019) is 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene.
What is the SMILES notation for 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene?
The canonical SMILES for 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene is Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1ccc(C(C)C)s1.Cc1ccc(C)s1.Cc1ccnc(C)c1C.Cc1cncc(C)c1C.Cc1ncnc(C)c1C.
What is the InChIKey of 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene?
The InChIKey is HRJBWYARKGEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.C8H12S.C7H10N2.C7H10O.C7H10S.C6H8S/c1-6-4-9-5-7(2)8(6)3;1-6-4-5-9-8(3)7(6)2;1-6(2)8-5-4-7(3)9-8;1-5-6(2)8-4-9-7(5)3;2*1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)7-5/h2*4-5H,1-3H3;4-6H,1-3H3;4H,1-3H3;2*4H,1-3H3;3-4H,1-2H3.
What are the key properties of 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene?
2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene has a molecular weight of 853.36 g/mol, XLogP of 15.84, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthiophene;2-methyl-5-propan-2-ylthiophene;2,3,5-trimethylfuran;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine;2,3,5-trimethylthiophene is sourced from PubChem (CID 158565019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).