cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C120H158N16O8 — CID 163743368

IUPACcumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)c1cc2c(cn1)OCCO2.CC(C)c1cc2c(cn1)OCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nccc2c1OCCO2.CC(C)c1nccc2c1OCO2.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1
InChIInChI=1S/C12H13N.2C10H13NO2.2C9H11NO2.C9H12.5C8H11N.3C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)8-5-9-10(6-11-8)13-4-3-12-9;1-7(2)9-10-8(3-4-11-9)12-5-6-13-10;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-4,6H,5H2,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyLJRULKPPMACAQZ-UHFFFAOYSA-N
MW1952.69 g/mol
LogP29.81
Rot. Bonds14

About cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 163743368) has the molecular formula C120H158N16O8 and a molecular weight of 1952.69 g/mol. Its IUPAC name is cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Namecumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
PubChem CID163743368
Molecular FormulaC120H158N16O8
Molecular Weight1952.69 g/mol
Exact Mass1951.24
IUPAC Namecumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)c1cc2c(cn1)OCCO2.CC(C)c1cc2c(cn1)OCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nccc2c1OCCO2.CC(C)c1nccc2c1OCO2.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1
InChIInChI=1S/C12H13N.2C10H13NO2.2C9H11NO2.C9H12.5C8H11N.3C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)8-5-9-10(6-11-8)13-4-3-12-9;1-7(2)9-10-8(3-4-11-9)12-5-6-13-10;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-4,6H,5H2,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyLJRULKPPMACAQZ-UHFFFAOYSA-N
XLogP29.81
TPSA280.08 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.69
LogP ≤ 529.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

16-[(1-Heptylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134145254
17-Methoxy-16-[(1-octylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134137492
16-[(1-Hexadecylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134143145
17-Methoxy-16-[(1-octadecylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134146861
16-[(1-Dodecylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134149295
16-[(1-Decylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134150013
17-Methoxy-16-[(1-pentylbenzimidazol-2-yl)methoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 134156956
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine
CID 159467497
US20250360145, Example 50
CID 178254728
US20250360145, Example 94
CID 178254764
US20250360145, Example 132
CID 178254798
16-[(1-Ethylbenzimidazol-2-yl)methoxy]-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 134135305

Frequently Asked Questions

What is the IUPAC name of cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The IUPAC name of cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 163743368) is cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.
What is the SMILES notation for cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The canonical SMILES for cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)c1cc2c(cn1)OCCO2.CC(C)c1cc2c(cn1)OCO2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nccc2c1OCCO2.CC(C)c1nccc2c1OCO2.CC(C)c1nccc2ccccc12.CC(C)c1ncccn1.
What is the InChIKey of cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The InChIKey is LJRULKPPMACAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.2C10H13NO2.2C9H11NO2.C9H12.5C8H11N.3C7H10N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)8-5-9-10(6-11-8)13-4-3-12-9;1-7(2)9-10-8(3-4-11-9)12-5-6-13-10;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-4,7H,5-6H2,1-2H3;2*3-4,6H,5H2,1-2H3;3-8H,1-2H3;5*3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 1952.69 g/mol, XLogP of 29.81, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;5-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;7-propan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;6-propan-2-yl-[1,3]dioxolo[4,5-c]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 163743368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).