2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole

C24H33N7 — CID 158188680

IUPAC2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole
SMILESCC1=CN=C(C)C1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)nc1
InChIInChI=1S/3C6H8N2.C6H9N/c1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-5-3-6(2)7-4-5/h3*3-4H,1-2H3;4H,3H2,1-2H3
InChIKeyFZLWAXXEZHBVEP-UHFFFAOYSA-N
MW419.58 g/mol
LogP5.04
Rot. Bonds

About 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole

2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole (PubChem CID 158188680) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole
PubChem CID158188680
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole
SMILESCC1=CN=C(C)C1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)nc1
InChIInChI=1S/3C6H8N2.C6H9N/c1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-5-3-6(2)7-4-5/h3*3-4H,1-2H3;4H,3H2,1-2H3
InChIKeyFZLWAXXEZHBVEP-UHFFFAOYSA-N
XLogP5.04
TPSA89.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole?
The IUPAC name of 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole (CID 158188680) is 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole.
What is the SMILES notation for 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole?
The canonical SMILES for 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole is CC1=CN=C(C)C1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.
What is the InChIKey of 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole?
The InChIKey is FZLWAXXEZHBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H8N2.C6H9N/c1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-5-3-6(2)7-4-5/h3*3-4H,1-2H3;4H,3H2,1-2H3.
What are the key properties of 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole?
2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole has a molecular weight of 419.58 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;2,4-dimethyl-3H-pyrrole is sourced from PubChem (CID 158188680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).