1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione

C13H13BrN2O3 — CID 112600325

IUPAC1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(Cc2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C13H13BrN2O3/c1-2-9-11(17)15-13(19)16(12(9)18)7-8-5-3-4-6-10(8)14/h3-6,18H,2,7H2,1H3,(H,15,17,19)
InChIKeyKTNYLCQXSULEHR-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.62
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112600325) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112600325
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(Cc2ccccc2Br)c(=O)[nH]c1=O
InChIInChI=1S/C13H13BrN2O3/c1-2-9-11(17)15-13(19)16(12(9)18)7-8-5-3-4-6-10(8)14/h3-6,18H,2,7H2,1H3,(H,15,17,19)
InChIKeyKTNYLCQXSULEHR-UHFFFAOYSA-N
XLogP1.62
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
CID 117206708
1-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947997
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 115947931
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112600745
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
CID 115114709
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
1-(2-bromo-4-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598976

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112600325) is 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(Cc2ccccc2Br)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is KTNYLCQXSULEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-2-9-11(17)15-13(19)16(12(9)18)7-8-5-3-4-6-10(8)14/h3-6,18H,2,7H2,1H3,(H,15,17,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 325.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112600325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).