6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione

C11H12ClN3O2 — CID 78236622

IUPAC6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESNC1CC(=O)NC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-4,9H,5-6,13H2,(H,14,16,17)
InChIKeyYRWDHVGLYRUHON-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.07
Rot. Bonds2

About 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione

6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 78236622) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID78236622
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESNC1CC(=O)NC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-4,9H,5-6,13H2,(H,14,16,17)
InChIKeyYRWDHVGLYRUHON-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione (CID 78236622) is 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione is NC1CC(=O)NC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is YRWDHVGLYRUHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-4-2-1-3-7(8)6-15-9(13)5-10(16)14-11(15)17/h1-4,9H,5-6,13H2,(H,14,16,17).
What are the key properties of 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione?
6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 253.69 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78236622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).