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

C10H8BrClN4O — CID 103054599

IUPAC5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1cnc(Cl)cn1
InChIInChI=1S/C10H8BrClN4O/c1-6-13-3-8(11)10(17)16(6)5-7-2-15-9(12)4-14-7/h2-4H,5H2,1H3
InChIKeyLWNSJLBHYRRMSC-UHFFFAOYSA-N
MW315.56 g/mol
LogP1.81
Rot. Bonds2

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

5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one (PubChem CID 103054599) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one
PubChem CID103054599
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1cnc(Cl)cn1
InChIInChI=1S/C10H8BrClN4O/c1-6-13-3-8(11)10(17)16(6)5-7-2-15-9(12)4-14-7/h2-4H,5H2,1H3
InChIKeyLWNSJLBHYRRMSC-UHFFFAOYSA-N
XLogP1.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one (CID 103054599) is 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one is Cc1ncc(Br)c(=O)n1Cc1cnc(Cl)cn1.
What is the InChIKey of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is LWNSJLBHYRRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c1-6-13-3-8(11)10(17)16(6)5-7-2-15-9(12)4-14-7/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one?
5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one has a molecular weight of 315.56 g/mol, XLogP of 1.81, 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]-2-methylpyrimidin-4-one is sourced from PubChem (CID 103054599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).