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

C13H16N2O2 — CID 76875693

IUPAC5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1cccc(CN2CC(C)C(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O2/c1-9-4-3-5-11(6-9)8-15-7-10(2)12(16)14-13(15)17/h3-6,10H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyUICSWURHXNWHDX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.68
Rot. Bonds2

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

5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 76875693) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID76875693
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1cccc(CN2CC(C)C(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O2/c1-9-4-3-5-11(6-9)8-15-7-10(2)12(16)14-13(15)17/h3-6,10H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyUICSWURHXNWHDX-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 77073100
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
1-benzyl-5-chloro-1,3-diazinane-2,4-dione
CID 78209180
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946982
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150
3,7-dimethyl-1-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82249082
5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione
CID 81173664
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3-tert-butyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64880959
1-benzyl-2,4-dioxo-1,3-diazinane-5-carbonitrile
CID 76844517
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione (CID 76875693) is 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione is Cc1cccc(CN2CC(C)C(=O)NC2=O)c1.
What is the InChIKey of 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is UICSWURHXNWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-3-5-11(6-9)8-15-7-10(2)12(16)14-13(15)17/h3-6,10H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76875693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).