2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C11H10BrN3O2 — CID 113393855

IUPAC2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ccc(Br)cn2)[nH]c1=O
InChIInChI=1S/C11H10BrN3O2/c1-2-7-10(16)14-9(15-11(7)17)8-4-3-6(12)5-13-8/h3-5H,2H2,1H3,(H2,14,15,16,17)
InChIKeyHOABMFGCVUEHFT-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.86
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 113393855) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID113393855
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ccc(Br)cn2)[nH]c1=O
InChIInChI=1S/C11H10BrN3O2/c1-2-7-10(16)14-9(15-11(7)17)8-4-3-6(12)5-13-8/h3-5H,2H2,1H3,(H2,14,15,16,17)
InChIKeyHOABMFGCVUEHFT-UHFFFAOYSA-N
XLogP1.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136715399
5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81311672
5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
CID 63613790
5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one
CID 63611281
4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81313246
5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 55215667
2-[(4-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 66057250
2-(4-bromo-5-methylthiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 102842311
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285
3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136715502
2-(5-bromo-2-pyridinyl)-4-(chloromethyl)-1H-pyrimidin-6-one
CID 136715451
2-(1-benzofuran-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63613792

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 113393855) is 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(-c2ccc(Br)cn2)[nH]c1=O.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HOABMFGCVUEHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-2-7-10(16)14-9(15-11(7)17)8-4-3-6(12)5-13-8/h3-5H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 296.12 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 113393855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).