2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C13H12BrClN2O2 — CID 115565725

IUPAC2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(Cl)c(Br)c2)[nH]c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-2-3-8-12(18)16-11(17-13(8)19)7-4-5-10(15)9(14)6-7/h4-6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyOEKNBJSYHBWLDF-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 115565725) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID115565725
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(Cl)c(Br)c2)[nH]c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-2-3-8-12(18)16-11(17-13(8)19)7-4-5-10(15)9(14)6-7/h4-6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyOEKNBJSYHBWLDF-UHFFFAOYSA-N
XLogP3.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 115565725) is 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2ccc(Cl)c(Br)c2)[nH]c1=O.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is OEKNBJSYHBWLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-2-3-8-12(18)16-11(17-13(8)19)7-4-5-10(15)9(14)6-7/h4-6H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 343.61 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 115565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).