1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione

C15H21N3O2 — CID 79777756

IUPAC1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCCN(CC)c1ccc(N2CC(C)C(=O)NC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-4-17(5-2)12-6-8-13(9-7-12)18-10-11(3)14(19)16-15(18)20/h6-9,11H,4-5,10H2,1-3H3,(H,16,19,20)
InChIKeyHJFXJLREOUEUBH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds4

About 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione

1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79777756) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79777756
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCCN(CC)c1ccc(N2CC(C)C(=O)NC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-4-17(5-2)12-6-8-13(9-7-12)18-10-11(3)14(19)16-15(18)20/h6-9,11H,4-5,10H2,1-3H3,(H,16,19,20)
InChIKeyHJFXJLREOUEUBH-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione (CID 79777756) is 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione is CCN(CC)c1ccc(N2CC(C)C(=O)NC2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is HJFXJLREOUEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-17(5-2)12-6-8-13(9-7-12)18-10-11(3)14(19)16-15(18)20/h6-9,11H,4-5,10H2,1-3H3,(H,16,19,20).
What are the key properties of 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 275.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).