2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane

C55H80N12 — CID 158000853

IUPAC2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
SMILESC.C.C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnncc1C.Cc1nccnc1C
InChIInChI=1S/4C7H9N.4C6H8N2.3CH4/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-6(2)8-4-3-7-5;;;/h4*3-5H,1-2H3;4*3-4H,1-2H3;3*1H4
InChIKeyFDSFVZNOJDFHLP-UHFFFAOYSA-N
MW909.33 g/mol
LogP13.08
Rot. Bonds

About 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane

2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane (PubChem CID 158000853) has the molecular formula C55H80N12 and a molecular weight of 909.33 g/mol. Its IUPAC name is 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane.

Molecular Properties

Compound Name2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
PubChem CID158000853
Molecular FormulaC55H80N12
Molecular Weight909.33 g/mol
Exact Mass908.66
IUPAC Name2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
SMILESC.C.C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnncc1C.Cc1nccnc1C
InChIInChI=1S/4C7H9N.4C6H8N2.3CH4/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-6(2)8-4-3-7-5;;;/h4*3-5H,1-2H3;4*3-4H,1-2H3;3*1H4
InChIKeyFDSFVZNOJDFHLP-UHFFFAOYSA-N
XLogP13.08
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.33
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane 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-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
CID 159055777
1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene
CID 158785175
3,4-dimethylpyridine;1,2-xylene
CID 158871716
2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
CID 158549407
2,3-dimethylcyclohexa-2,5-dien-1-one;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);3,4-dimethylpyridine;5,6-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidin-2-one
CID 159992863
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
bis(2,3-dimethylpyridine);ethane
CID 159594018
2,3-dimethylpyridine;1,4-xylene
CID 174745079
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;bis(4,5-dimethyl-1,3-thiazole);1,2-xylene
CID 162258350
2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;ethane;methane
CID 159848930
ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
CID 159258113

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane?
The IUPAC name of 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane (CID 158000853) is 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane.
What is the SMILES notation for 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane?
The canonical SMILES for 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane is C.C.C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnncc1C.Cc1nccnc1C.
What is the InChIKey of 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane?
The InChIKey is FDSFVZNOJDFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H9N.4C6H8N2.3CH4/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-6(2)8-4-3-7-5;;;/h4*3-5H,1-2H3;4*3-4H,1-2H3;3*1H4.
What are the key properties of 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane?
2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane has a molecular weight of 909.33 g/mol, XLogP of 13.08, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane is sourced from PubChem (CID 158000853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).