2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C12H11BrN2O2 — CID 63612612

IUPAC2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(Cc2ccccc2Br)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-7-11(16)14-10(15-12(7)17)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyJUGDEDDGMRDFKS-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.14
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63612612) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63612612
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(Cc2ccccc2Br)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-7-11(16)14-10(15-12(7)17)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyJUGDEDDGMRDFKS-UHFFFAOYSA-N
XLogP2.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63612612) is 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(Cc2ccccc2Br)[nH]c1=O.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is JUGDEDDGMRDFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-11(16)14-10(15-12(7)17)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 295.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).