5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C14H9BrN2O3 — CID 79437608

IUPAC5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccco2)nc(O)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O3/c15-9-5-3-8(4-6-9)11-13(18)16-12(17-14(11)19)10-2-1-7-20-10/h1-7H,(H2,16,17,18,19)
InChIKeyPJTSDRBITXPXIP-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.16
Rot. Bonds2

About 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79437608) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79437608
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccco2)nc(O)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O3/c15-9-5-3-8(4-6-9)11-13(18)16-12(17-14(11)19)10-2-1-7-20-10/h1-7H,(H2,16,17,18,19)
InChIKeyPJTSDRBITXPXIP-UHFFFAOYSA-N
XLogP3.16
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 79437608) is 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccco2)nc(O)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PJTSDRBITXPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-9-5-3-8(4-6-9)11-13(18)16-12(17-14(11)19)10-2-1-7-20-10/h1-7H,(H2,16,17,18,19).
What are the key properties of 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 333.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79437608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).