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

C13H17N3O2 — CID 4157713

IUPAC1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2ccc(N(C)C)cc2)C(=O)NC1=O
InChIInChI=1S/C13H17N3O2/c1-9-8-16(13(18)14-12(9)17)11-6-4-10(5-7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17,18)
InChIKeyJWJCPSVIBZYHTC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.44
Rot. Bonds2

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

1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 4157713) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID4157713
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2ccc(N(C)C)cc2)C(=O)NC1=O
InChIInChI=1S/C13H17N3O2/c1-9-8-16(13(18)14-12(9)17)11-6-4-10(5-7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17,18)
InChIKeyJWJCPSVIBZYHTC-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.44
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-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione (CID 4157713) is 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione is CC1CN(c2ccc(N(C)C)cc2)C(=O)NC1=O.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is JWJCPSVIBZYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-8-16(13(18)14-12(9)17)11-6-4-10(5-7-11)15(2)3/h4-7,9H,8H2,1-3H3,(H,14,17,18).
What are the key properties of 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione?
1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 4157713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).