5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one

C9H6BrClN4O — CID 103054597

IUPAC5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1cnc(Cl)cn1
InChIInChI=1S/C9H6BrClN4O/c10-7-2-12-5-15(9(7)16)4-6-1-14-8(11)3-13-6/h1-3,5H,4H2
InChIKeyXLEYNJXJDWMERE-UHFFFAOYSA-N
MW301.53 g/mol
LogP1.50
Rot. Bonds2

About 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one

5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one (PubChem CID 103054597) has the molecular formula C9H6BrClN4O and a molecular weight of 301.53 g/mol. Its IUPAC name is 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one
PubChem CID103054597
Molecular FormulaC9H6BrClN4O
Molecular Weight301.53 g/mol
Exact Mass299.94
IUPAC Name5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1cnc(Cl)cn1
InChIInChI=1S/C9H6BrClN4O/c10-7-2-12-5-15(9(7)16)4-6-1-14-8(11)3-13-6/h1-3,5H,4H2
InChIKeyXLEYNJXJDWMERE-UHFFFAOYSA-N
XLogP1.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one (CID 103054597) is 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1cnc(Cl)cn1.
What is the InChIKey of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is XLEYNJXJDWMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4O/c10-7-2-12-5-15(9(7)16)4-6-1-14-8(11)3-13-6/h1-3,5H,4H2.
What are the key properties of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 301.53 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103054597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).