2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane

C144H264N16 — CID 161131655

IUPAC2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cnncc1C(C)(C)C.CC(C)(C)c1nccnc1C(C)(C)C
InChIInChI=1S/4C13H21N.6C12H20N2.10C2H6/c2*1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;2*1-11(2,3)9-7-13-8-14-10(9)12(4,5)6;1-11(2,3)9-7-13-14-8-10(9)12(4,5)6;1-11(2,3)9-10(12(4,5)6)14-8-7-13-9;2*1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;10*1-2/h4*7-9H,1-6H3;6*7-8H,1-6H3;10*1-2H3
InChIKeyUMGQGTOGJJYFHL-UHFFFAOYSA-N
MW2219.81 g/mol
LogP43.40
Rot. Bonds

About 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane

2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane (PubChem CID 161131655) has the molecular formula C144H264N16 and a molecular weight of 2219.81 g/mol. Its IUPAC name is 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane.

Molecular Properties

Compound Name2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane
PubChem CID161131655
Molecular FormulaC144H264N16
Molecular Weight2219.81 g/mol
Exact Mass2218.11
IUPAC Name2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cnncc1C(C)(C)C.CC(C)(C)c1nccnc1C(C)(C)C
InChIInChI=1S/4C13H21N.6C12H20N2.10C2H6/c2*1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;2*1-11(2,3)9-7-13-8-14-10(9)12(4,5)6;1-11(2,3)9-7-13-14-8-10(9)12(4,5)6;1-11(2,3)9-10(12(4,5)6)14-8-7-13-9;2*1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;10*1-2/h4*7-9H,1-6H3;6*7-8H,1-6H3;10*1-2H3
InChIKeyUMGQGTOGJJYFHL-UHFFFAOYSA-N
XLogP43.40
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.81
LogP ≤ 543.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane 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

3,4-ditert-butylpyridazine;ethane
CID 158921658
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482
1,2-ditert-butylbenzene;1,4-ditert-butylbenzene;bis(1,2-ditert-butylnaphthalene);1,4-ditert-butylnaphthalene;bis(2,3-ditert-butylpyrazine);2,5-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);3,6-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);tetrakis(2,5-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(2,5-ditert-butylpyrimidine)
CID 162020585
3,4-ditert-butylpyridine
CID 13244751
2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
CID 159848930
bis(1,2-ditert-butylbenzene);3,4-ditert-butylpyridine;1,1,1-trifluoroethane
CID 161373964
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
CID 122695001
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
4-tert-butyl-5-[5-(5-tert-butylpyridazin-4-yl)-2,5-dimethylhexan-2-yl]-1-[2-(4-tert-butylpyrimidin-5-yl)-2-methylpropyl]pyrimidin-1-ium
CID 170276585
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
4-tert-butylpyrido[2,3-c]pyridazine
CID 59647526

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane?
The IUPAC name of 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane (CID 161131655) is 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane.
What is the SMILES notation for 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane?
The canonical SMILES for 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cnncc1C(C)(C)C.CC(C)(C)c1nccnc1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane?
The InChIKey is UMGQGTOGJJYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H21N.6C12H20N2.10C2H6/c2*1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;2*1-11(2,3)9-7-13-8-14-10(9)12(4,5)6;1-11(2,3)9-7-13-14-8-10(9)12(4,5)6;1-11(2,3)9-10(12(4,5)6)14-8-7-13-9;2*1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;10*1-2/h4*7-9H,1-6H3;6*7-8H,1-6H3;10*1-2H3.
What are the key properties of 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane?
2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane has a molecular weight of 2219.81 g/mol, XLogP of 43.40, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylpyrazine;bis(3,4-ditert-butylpyridazine);4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);bis(4,5-ditert-butylpyrimidine);ethane is sourced from PubChem (CID 161131655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).