5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C17H23N3O3 — CID 23534371

IUPAC5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)N1C(C)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C1C
InChIInChI=1S/C17H23N3O3/c1-7-10(2)20-11(3)8-13(9-12(20)4)14-15(21)18(5)17(23)19(6)16(14)22/h8-10H,7H2,1-6H3
InChIKeyZLMFXXPPDKZRGB-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds2

About 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 23534371) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID23534371
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)N1C(C)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C1C
InChIInChI=1S/C17H23N3O3/c1-7-10(2)20-11(3)8-13(9-12(20)4)14-15(21)18(5)17(23)19(6)16(14)22/h8-10H,7H2,1-6H3
InChIKeyZLMFXXPPDKZRGB-UHFFFAOYSA-N
XLogP2.26
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 23534371) is 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCC(C)N1C(C)=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C1C.
What is the InChIKey of 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZLMFXXPPDKZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-7-10(2)20-11(3)8-13(9-12(20)4)14-15(21)18(5)17(23)19(6)16(14)22/h8-10H,7H2,1-6H3.
What are the key properties of 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 317.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-yl-2,6-dimethyl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23534371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).