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

C14H15BrN2O3 — CID 63611790

IUPAC2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(OC)c(Br)c2)[nH]c1=O
InChIInChI=1S/C14H15BrN2O3/c1-3-4-9-13(18)16-12(17-14(9)19)8-5-6-11(20-2)10(15)7-8/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyRIZBMHBAUCWYFH-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.87
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63611790) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63611790
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(OC)c(Br)c2)[nH]c1=O
InChIInChI=1S/C14H15BrN2O3/c1-3-4-9-13(18)16-12(17-14(9)19)8-5-6-11(20-2)10(15)7-8/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyRIZBMHBAUCWYFH-UHFFFAOYSA-N
XLogP2.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63611790) is 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2ccc(OC)c(Br)c2)[nH]c1=O.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is RIZBMHBAUCWYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-4-9-13(18)16-12(17-14(9)19)8-5-6-11(20-2)10(15)7-8/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 339.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).