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

C74H106N6O2S2 — CID 157482357

IUPACcumene;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
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ncccn1
InChIInChI=1S/C9H12.2C8H11N.C7H10N2.2C7H11N.2C7H10O.2C7H10S/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3
InChIKeyBWHNMEAIGYCNCL-UHFFFAOYSA-N
MW1175.84 g/mol
LogP23.65
Rot. Bonds10

About 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

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 (PubChem CID 157482357) has the molecular formula C74H106N6O2S2 and a molecular weight of 1175.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecumene;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
PubChem CID157482357
Molecular FormulaC74H106N6O2S2
Molecular Weight1175.84 g/mol
Exact Mass1174.78
IUPAC Namecumene;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
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ncccn1
InChIInChI=1S/C9H12.2C8H11N.C7H10N2.2C7H11N.2C7H10O.2C7H10S/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3
InChIKeyBWHNMEAIGYCNCL-UHFFFAOYSA-N
XLogP23.65
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.84
LogP ≤ 523.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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

1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine
CID 157413497
(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
N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 3649040
2-(aminomethyl)-N-[5-(furan-3-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-3-phenylpropanamide
CID 24804782
(5Z)-5-[[2-[4-[[[4-(furan-2-yl)thiophen-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 66571383
3-amino-N-[4-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]thiophen-2-yl]-2-phenylpropanamide
CID 70315355
5-[[2-[4-[[[4-(Furan-2-yl)thiophen-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 77144917
5-[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]thiophene-2-carbaldehyde
CID 87603987
(5E)-5-[[2-[4-[[[4-(furan-2-yl)thiophen-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 89077667
5-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]thiophene-2-carbaldehyde
CID 89193330
3-methyl-5-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]thiophene-2-carbaldehyde
CID 90731725
2-[3-(furan-2-yl)-4-(1H-pyrrol-2-yl)thiophen-2-yl]pyrimidine
CID 91802818

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ncccn1.
What is the InChIKey of 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?
The InChIKey is BWHNMEAIGYCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H11N.C7H10N2.2C7H11N.2C7H10O.2C7H10S/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1175.84 g/mol, XLogP of 23.65, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157482357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).