6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione

C12H11BrN2O2 — CID 122239111

IUPAC6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-2-15-11(16)7-10(14-12(15)17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17)
InChIKeyXCGRGCPGFCDWME-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.99
Rot. Bonds2

About 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione

6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 122239111) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID122239111
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-2-15-11(16)7-10(14-12(15)17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17)
InChIKeyXCGRGCPGFCDWME-UHFFFAOYSA-N
XLogP1.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-{[2-(4-Bromophenyl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 133081959
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
6-[3(R)-Amino-piperidin-1-yl]-1-(2-bromo-benzyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 11234761
6-[3(R)-Amino-piperidin-1-yl]-1-(2-bromo-benzyl)-1H-pyrimidine-2,4-dione
CID 11291901
Stk169393
CID 319814
1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 5276659
6-Amino-1-benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 822149
(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 25185174
N-[(4-bromophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
CID 2526911
3-bromo-N-(3-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-3-oxopropyl)benzamide
CID 17583649
1-[(E)-cinnamyl]-3-[(3,5-dibromophenyl)methyl]pyrimidine-2,4-dione
CID 71525136
3-[(3-bromo-5-methyl-phenyl)methyl]-1-[(E)-cinnamyl]pyrimidine-2,4-dione
CID 71525137

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione (CID 122239111) is 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(-c2cccc(Br)c2)[nH]c1=O.
What is the InChIKey of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is XCGRGCPGFCDWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-2-15-11(16)7-10(14-12(15)17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17).
What are the key properties of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).