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

C19H19BrN2O2 — CID 177364678

IUPAC1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(CN2C(=O)CCN(c3ccc(Br)cc3C)C2=O)cc1
InChIInChI=1S/C19H19BrN2O2/c1-13-3-5-15(6-4-13)12-22-18(23)9-10-21(19(22)24)17-8-7-16(20)11-14(17)2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyQNMPMEZHUHCSBE-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.42
Rot. Bonds3

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

1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 177364678) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID177364678
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(CN2C(=O)CCN(c3ccc(Br)cc3C)C2=O)cc1
InChIInChI=1S/C19H19BrN2O2/c1-13-3-5-15(6-4-13)12-22-18(23)9-10-21(19(22)24)17-8-7-16(20)11-14(17)2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyQNMPMEZHUHCSBE-UHFFFAOYSA-N
XLogP4.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-allyl-5-[3-bromo-4-(dimethylamino)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1254683
1-(4-bromophenyl)-3-[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]-2,4-imidazolidinedione
CID 2228525
6-(4-benzylpiperazin-1-yl)-3-(4-bromophenyl)-1H-pyrimidine-2,4-dione
CID 9550849
N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)acetamide
CID 44319008
1-Benzyl-3-(4-bromo-2-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711384
4-(6-bromo-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(4-methylbenzyl)butanamide
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1-(4-Bromo-2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1345801
N-(1-(3-(3-bromophenyl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425378
1-(4-Bromo-3-methylphenyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 79777246
1-(4-Bromo-2-methylphenyl)dihydropyrimidine-2,4(1H,3H)-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione (CID 177364678) is 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione is Cc1ccc(CN2C(=O)CCN(c3ccc(Br)cc3C)C2=O)cc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is QNMPMEZHUHCSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-3-5-15(6-4-13)12-22-18(23)9-10-21(19(22)24)17-8-7-16(20)11-14(17)2/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione?
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 387.28 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177364678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).