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

C13H11BrN2O2 — CID 79439110

IUPAC5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-9-4-2-1-3-8(9)10-12(17)15-11(7-5-6-7)16-13(10)18/h1-4,7H,5-6H2,(H2,15,16,17,18)
InChIKeyTWWXQYPBSLWRDW-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.78
Rot. Bonds2

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

5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439110) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439110
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-9-4-2-1-3-8(9)10-12(17)15-11(7-5-6-7)16-13(10)18/h1-4,7H,5-6H2,(H2,15,16,17,18)
InChIKeyTWWXQYPBSLWRDW-UHFFFAOYSA-N
XLogP2.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one (CID 79439110) is 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)nc(O)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is TWWXQYPBSLWRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-9-4-2-1-3-8(9)10-12(17)15-11(7-5-6-7)16-13(10)18/h1-4,7H,5-6H2,(H2,15,16,17,18).
What are the key properties of 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one?
5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 307.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).