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

C16H21N3O3 — CID 59097444

IUPAC5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(C)N1C(C)C
InChIInChI=1S/C16H21N3O3/c1-9(2)19-10(3)7-12(8-11(19)4)13-14(20)17(5)16(22)18(6)15(13)21/h7-9H,1-6H3
InChIKeyQTCWNZOSVOQXDW-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.87
Rot. Bonds1

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

5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 59097444) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID59097444
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(C)N1C(C)C
InChIInChI=1S/C16H21N3O3/c1-9(2)19-10(3)7-12(8-11(19)4)13-14(20)17(5)16(22)18(6)15(13)21/h7-9H,1-6H3
InChIKeyQTCWNZOSVOQXDW-UHFFFAOYSA-N
XLogP1.87
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.87
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-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 59097444) is 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)C=C(C)N1C(C)C.
What is the InChIKey of 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QTCWNZOSVOQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(2)19-10(3)7-12(8-11(19)4)13-14(20)17(5)16(22)18(6)15(13)21/h7-9H,1-6H3.
What are the key properties of 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 303.36 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-1-propan-2-yl-4-pyridinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59097444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).