ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C61H112N8 — CID 159280062

IUPACethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cncnc1
InChIInChI=1S/4C8H11N.2C7H10N2.6C2H6.3CH4/c1-7(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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;6*1-2;;;/h4*3-7H,1-2H3;2*3-6H,1-2H3;6*1-2H3;3*1H4
InChIKeyKYUKSDBKYCUYJK-UHFFFAOYSA-N
MW957.62 g/mol
LogP20.09
Rot. Bonds6

About ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 159280062) has the molecular formula C61H112N8 and a molecular weight of 957.62 g/mol. Its IUPAC name is ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID159280062
Molecular FormulaC61H112N8
Molecular Weight957.62 g/mol
Exact Mass956.90
IUPAC Nameethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cncnc1
InChIInChI=1S/4C8H11N.2C7H10N2.6C2H6.3CH4/c1-7(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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;6*1-2;;;/h4*3-7H,1-2H3;2*3-6H,1-2H3;6*1-2H3;3*1H4
InChIKeyKYUKSDBKYCUYJK-UHFFFAOYSA-N
XLogP20.09
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.62
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

ethane;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);tris(3-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159364646
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 160766869
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
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

Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of 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) is ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cncnc1.
What is the InChIKey of ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is KYUKSDBKYCUYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H11N.2C7H10N2.6C2H6.3CH4/c1-7(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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;6*1-2;;;/h4*3-7H,1-2H3;2*3-6H,1-2H3;6*1-2H3;3*1H4.
What are the key properties of ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 957.62 g/mol, XLogP of 20.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 159280062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).