cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole

C61H91N11 — CID 163431706

IUPACcumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole
SMILESCC(C)C1=NCN=C1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ncc[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ncn1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C9H13N.C9H12.2C8H12N2.C8H11N.C7H11N.2C6H10N2/c1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-7(3)9-5-10-8;1-6(2)8-4-5-9-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;3-8H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyARAVOOMTBRDXGB-UHFFFAOYSA-N
MW978.48 g/mol
LogP16.14
Rot. Bonds8

About cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole

cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole (PubChem CID 163431706) has the molecular formula C61H91N11 and a molecular weight of 978.48 g/mol. Its IUPAC name is cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Namecumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole
PubChem CID163431706
Molecular FormulaC61H91N11
Molecular Weight978.48 g/mol
Exact Mass977.75
IUPAC Namecumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole
SMILESCC(C)C1=NCN=C1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ncc[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ncn1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C9H13N.C9H12.2C8H12N2.C8H11N.C7H11N.2C6H10N2/c1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-7(3)9-5-10-8;1-6(2)8-4-5-9-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;3-8H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyARAVOOMTBRDXGB-UHFFFAOYSA-N
XLogP16.14
TPSA146.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.48
LogP ≤ 516.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

cumene;ethane;2-propan-2-ylpyridine
CID 160627938
hexakis(carbon dioxide);bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine
CID 158081858
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
cumene;ethane;1-methyl-4-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158640767
cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908
2-[bis(1H-imidazol-2-yl)methyl]pyridine
CID 121008587
4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
CID 130227799
bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol
CID 161345551
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
4-tert-butyl-N,N-dimethylpyridin-2-amine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 161392190

Frequently Asked Questions

What is the IUPAC name of cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole?
The IUPAC name of cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole (CID 163431706) is cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole.
What is the SMILES notation for cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole?
The canonical SMILES for cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole is CC(C)C1=NCN=C1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ncc[nH]1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ncn1.Cc1nccc(C(C)C)n1.
What is the InChIKey of cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole?
The InChIKey is ARAVOOMTBRDXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C9H12.2C8H12N2.C8H11N.C7H11N.2C6H10N2/c1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-7(3)9-5-10-8;1-6(2)8-4-5-9-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;3-8H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole?
cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole has a molecular weight of 978.48 g/mol, XLogP of 16.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;2-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 163431706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).