1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene

C49H69N13O2 — CID 157295625

IUPAC1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene
SMILESCN1CCN(C)C1=O.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1ncnc(C)n1.Cn1ccn(C)c1=O
InChIInChI=1S/2C8H10.3C6H8N2.C5H7N3.C5H10N2O.C5H8N2O/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;2*1-6-3-4-7(2)5(6)8/h2*3-6H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3
InChIKeyBBHVBZHFPFRZGI-UHFFFAOYSA-N
MW872.18 g/mol
LogP8.08
Rot. Bonds

About 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene

1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene (PubChem CID 157295625) has the molecular formula C49H69N13O2 and a molecular weight of 872.18 g/mol. Its IUPAC name is 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene
PubChem CID157295625
Molecular FormulaC49H69N13O2
Molecular Weight872.18 g/mol
Exact Mass871.57
IUPAC Name1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene
SMILESCN1CCN(C)C1=O.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1ncnc(C)n1.Cn1ccn(C)c1=O
InChIInChI=1S/2C8H10.3C6H8N2.C5H7N3.C5H10N2O.C5H8N2O/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;2*1-6-3-4-7(2)5(6)8/h2*3-6H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3
InChIKeyBBHVBZHFPFRZGI-UHFFFAOYSA-N
XLogP8.08
TPSA166.49 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.18
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene?
The IUPAC name of 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene (CID 157295625) is 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene is CN1CCN(C)C1=O.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1ncnc(C)n1.Cn1ccn(C)c1=O.
What is the InChIKey of 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene?
The InChIKey is BBHVBZHFPFRZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.3C6H8N2.C5H7N3.C5H10N2O.C5H8N2O/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4;2*1-6-3-4-7(2)5(6)8/h2*3-6H,1-2H3;3*3-4H,1-2H3;3H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3.
What are the key properties of 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene?
1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene has a molecular weight of 872.18 g/mol, XLogP of 8.08, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene is sourced from PubChem (CID 157295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).