6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione

C13H16N2O2 — CID 59370437

IUPAC6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C13H16N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)
InChIKeyVHYMOWFXASTJLP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.08
Rot. Bonds2

About 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione

6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 59370437) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID59370437
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C13H16N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)
InChIKeyVHYMOWFXASTJLP-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 124507823
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
CID 59370448
(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 121412372
3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione
CID 155956821
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
(4S,7S,14S,17S)-4,14-diphenyl-1,5,11,15-tetrazatricyclo[15.3.0.07,11]icosane-2,6,12,16-tetrone
CID 163071626
2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide
CID 42851595
methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate
CID 42868328
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione (CID 59370437) is 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione is CC(C)N1C(=O)CC(c2ccccc2)NC1=O.
What is the InChIKey of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is VHYMOWFXASTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)15-12(16)8-11(14-13(15)17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17).
What are the key properties of 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione?
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 59370437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).