6-(3-bromophenyl)-1,3-diazinane-2,4-dione

C10H9BrN2O2 — CID 4036042

IUPAC6-(3-bromophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2cccc(Br)c2)NC(=O)N1
InChIInChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)
InChIKeyDAVLDCZYGOJRLK-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.72
Rot. Bonds1

About 6-(3-bromophenyl)-1,3-diazinane-2,4-dione

6-(3-bromophenyl)-1,3-diazinane-2,4-dione (PubChem CID 4036042) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-(3-bromophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(3-bromophenyl)-1,3-diazinane-2,4-dione
PubChem CID4036042
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-(3-bromophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2cccc(Br)c2)NC(=O)N1
InChIInChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)
InChIKeyDAVLDCZYGOJRLK-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
Hydantoin, 5-(m-bromobenzyl)-3-methyl-
CID 53521
N-(1-Benzyl-piperidin-4-yl)-2-(3-bromo-phenyl)-acetamide
CID 10023073
1-Benzyl-5-bromo-6-methyl-1,3-diazinane-2,4-dione
CID 243064
3-benzyl-6-pentyldihydropyrimidine-2,4(1H,3H)-dione
CID 3241737
5-(3-bromophenyl)-2,4(1H,3H)-pyrimidinedione
CID 817985
5-[(3-Bromophenyl)methyl]imidazolidine-2,4-dione
CID 20823883
2,4(1H,3H)-Pyrimidinedione, 5,6-dihydro-1-methoxy-6-phenyl-
CID 207579
5-(3-Bromophenyl)imidazolidine-2,4-dione
CID 45496510
6-(2-Methylphenyl)-1,3-diazinane-2,4-dione
CID 76027104
2-[1-[2-(3-Bromophenyl)acetyl]piperidin-2-yl]acetamide
CID 53566615
6-(4-Fluorophenyl)-1,3-diazinane-2,4-dione
CID 67054985

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(3-bromophenyl)-1,3-diazinane-2,4-dione (CID 4036042) is 6-(3-bromophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(3-bromophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(3-bromophenyl)-1,3-diazinane-2,4-dione is O=C1CC(c2cccc(Br)c2)NC(=O)N1.
What is the InChIKey of 6-(3-bromophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is DAVLDCZYGOJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15).
What are the key properties of 6-(3-bromophenyl)-1,3-diazinane-2,4-dione?
6-(3-bromophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 4036042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).