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

C14H11BrN4O2 — CID 107972971

IUPAC5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cnc(-c2nc(O)c(-c3ccc(Br)cc3)c(=O)[nH]2)c1
InChIInChI=1S/C14H11BrN4O2/c1-19-6-10(16-7-19)12-17-13(20)11(14(21)18-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H2,17,18,20,21)
InChIKeyBIVYLLDPMKPBSQ-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.31
Rot. Bonds2

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

5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 107972971) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
PubChem CID107972971
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cnc(-c2nc(O)c(-c3ccc(Br)cc3)c(=O)[nH]2)c1
InChIInChI=1S/C14H11BrN4O2/c1-19-6-10(16-7-19)12-17-13(20)11(14(21)18-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H2,17,18,20,21)
InChIKeyBIVYLLDPMKPBSQ-UHFFFAOYSA-N
XLogP2.31
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one (CID 107972971) is 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one is Cn1cnc(-c2nc(O)c(-c3ccc(Br)cc3)c(=O)[nH]2)c1.
What is the InChIKey of 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is BIVYLLDPMKPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-19-6-10(16-7-19)12-17-13(20)11(14(21)18-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H2,17,18,20,21).
What are the key properties of 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one?
5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 347.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 107972971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).