5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one

C12H16N2O2 — CID 105475789

IUPAC5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one
SMILESCN1CC(C)(c2ccc(O)cc2)CNC1=O
InChIInChI=1S/C12H16N2O2/c1-12(7-13-11(16)14(2)8-12)9-3-5-10(15)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,13,16)
InChIKeyXTMPMBZMLYRGBT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.30
Rot. Bonds1

About 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one

5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one (PubChem CID 105475789) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one
PubChem CID105475789
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one
SMILESCN1CC(C)(c2ccc(O)cc2)CNC1=O
InChIInChI=1S/C12H16N2O2/c1-12(7-13-11(16)14(2)8-12)9-3-5-10(15)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,13,16)
InChIKeyXTMPMBZMLYRGBT-UHFFFAOYSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxyphenyl)-4-methyloxolan-2-one
CID 105445803
(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one
CID 71206687
4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one
CID 105458768
azane;aziridin-2-one;4-methylphenol
CID 88801841
1-(4-hydroxyphenyl)ethanone;4-(1-methylcyclopropyl)phenol
CID 161486309
4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 22621530
3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
CID 11736175
4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
CID 66106076
5-[4-(aminomethyl)phenyl]-5-methyl-1,3-diazinan-2-one
CID 105474478
5,7-bis(4-hydroxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 14940065
4-(2-hydroxyphenyl)-1,4-dimethylimidazolidin-2-one
CID 105458761
4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
CID 66106295

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one (CID 105475789) is 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one is CN1CC(C)(c2ccc(O)cc2)CNC1=O.
What is the InChIKey of 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one?
The InChIKey is XTMPMBZMLYRGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(7-13-11(16)14(2)8-12)9-3-5-10(15)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,13,16).
What are the key properties of 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one?
5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 105475789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).