1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione

C11H11BrN2O2 — CID 107640380

IUPAC1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1c(Br)cccc1N1CCC(=O)NC1=O
InChIInChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-5-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16)
InChIKeyKCDHFJPBJQDAMY-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.20
Rot. Bonds1

About 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione

1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 107640380) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
PubChem CID107640380
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1c(Br)cccc1N1CCC(=O)NC1=O
InChIInChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-5-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16)
InChIKeyKCDHFJPBJQDAMY-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Bromophenyl)-1,3-diazinane-2,4,6-trione
CID 2274691
1-o-Tolyl-pyrimidine-2,4,6-trione
CID 2179721
1-allyl-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1254683
2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamide
CID 10086145
6-(3-Bromo-4-methyl-phenylamino)-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 11132716
N-(4-bromo-3-methylphenyl)-3-(1-piperidinyl)propanamide
CID 739905
1-(2-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2892394
1-(4-Bromophenyl)-1,3-diazinane-2,4-dione
CID 79777070
1-(4-Bromo-2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1345801
1-(o-tolyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 44509194
N-(4-bromophenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 70595510
1-(2-Ethylphenyl)-1,3-diazinane-2,4-dione
CID 79777992

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione (CID 107640380) is 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione is Cc1c(Br)cccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is KCDHFJPBJQDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-5-10(15)13-11(14)16/h2-4H,5-6H2,1H3,(H,13,15,16).
What are the key properties of 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione?
1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 283.12 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 107640380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).