5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane

C11H15BrN2O2 — CID 143734144

IUPAC5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
SMILESC=Cc1nc(O)c(Br)c(=O)n1/C=C\C.CC
InChIInChI=1S/C9H9BrN2O2.C2H6/c1-3-5-12-6(4-2)11-8(13)7(10)9(12)14;1-2/h3-5,13H,2H2,1H3;1-2H3/b5-3-;
InChIKeyOFXIEMNENZFJSW-FBZPGIPVSA-N
MW287.16 g/mol
LogP2.87
Rot. Bonds2

About 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane

5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane (PubChem CID 143734144) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
PubChem CID143734144
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
SMILESC=Cc1nc(O)c(Br)c(=O)n1/C=C\C.CC
InChIInChI=1S/C9H9BrN2O2.C2H6/c1-3-5-12-6(4-2)11-8(13)7(10)9(12)14;1-2/h3-5,13H,2H2,1H3;1-2H3/b5-3-;
InChIKeyOFXIEMNENZFJSW-FBZPGIPVSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
The IUPAC name of 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane (CID 143734144) is 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane.
What is the SMILES notation for 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
The canonical SMILES for 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane is C=Cc1nc(O)c(Br)c(=O)n1/C=C\C.CC.
What is the InChIKey of 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
The InChIKey is OFXIEMNENZFJSW-FBZPGIPVSA-N. The full InChI is InChI=1S/C9H9BrN2O2.C2H6/c1-3-5-12-6(4-2)11-8(13)7(10)9(12)14;1-2/h3-5,13H,2H2,1H3;1-2H3/b5-3-;.
What are the key properties of 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane has a molecular weight of 287.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane is sourced from PubChem (CID 143734144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).