ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine

C27H47N9 — CID 165070949

IUPACethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
SMILESCC.CC.CC.CC.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncncn1
InChIInChI=1S/3C5H6N2.C4H5N3.4C2H6/c1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;4*1-2/h3*2-4H,1H3;2-3H,1H3;4*1-2H3
InChIKeySSZJJGQYEIVXBO-UHFFFAOYSA-N
MW497.74 g/mol
LogP6.64
Rot. Bonds

About ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine

ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine (PubChem CID 165070949) has the molecular formula C27H47N9 and a molecular weight of 497.74 g/mol. Its IUPAC name is ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine.

Molecular Properties

Compound Nameethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
PubChem CID165070949
Molecular FormulaC27H47N9
Molecular Weight497.74 g/mol
Exact Mass497.40
IUPAC Nameethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
SMILESCC.CC.CC.CC.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncncn1
InChIInChI=1S/3C5H6N2.C4H5N3.4C2H6/c1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;4*1-2/h3*2-4H,1H3;2-3H,1H3;4*1-2H3
InChIKeySSZJJGQYEIVXBO-UHFFFAOYSA-N
XLogP6.64
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.74
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine 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

ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
ethane;1-methylisoquinoline;2-methylpyrazine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methylquinoline;2-methyl-1,3,5-triazine
CID 159290703
ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
CID 157260793
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
ethane;bis(4-methylpyridine);4-methylpyrimidine
CID 143707387
hydron;4-methylpyrimidine
CID 174915530
bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 158526238
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine?
The IUPAC name of ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine (CID 165070949) is ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine.
What is the SMILES notation for ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine?
The canonical SMILES for ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine is CC.CC.CC.CC.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncncn1.
What is the InChIKey of ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine?
The InChIKey is SSZJJGQYEIVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6N2.C4H5N3.4C2H6/c1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-4-6-2-5-3-7-4;4*1-2/h3*2-4H,1H3;2-3H,1H3;4*1-2H3.
What are the key properties of ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine?
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine has a molecular weight of 497.74 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine is sourced from PubChem (CID 165070949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).