1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione

C15H13BrN2O2 — CID 81259683

IUPAC1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2ccc3cc(Br)ccc3c2)C(=O)NC1=O
InChIInChI=1S/C15H13BrN2O2/c1-9-8-18(15(20)17-14(9)19)13-5-3-10-6-12(16)4-2-11(10)7-13/h2-7,9H,8H2,1H3,(H,17,19,20)
InChIKeyWJEFQKNBECNWGS-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.29
Rot. Bonds1

About 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione

1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 81259683) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID81259683
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2ccc3cc(Br)ccc3c2)C(=O)NC1=O
InChIInChI=1S/C15H13BrN2O2/c1-9-8-18(15(20)17-14(9)19)13-5-3-10-6-12(16)4-2-11(10)7-13/h2-7,9H,8H2,1H3,(H,17,19,20)
InChIKeyWJEFQKNBECNWGS-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione (CID 81259683) is 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione is CC1CN(c2ccc3cc(Br)ccc3c2)C(=O)NC1=O.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is WJEFQKNBECNWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-9-8-18(15(20)17-14(9)19)13-5-3-10-6-12(16)4-2-11(10)7-13/h2-7,9H,8H2,1H3,(H,17,19,20).
What are the key properties of 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione?
1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 333.19 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 81259683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).