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

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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).