5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one

C10H8BrClN4O — CID 103054598

IUPAC5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2cnc(Cl)cn2)c(=O)c1Br
InChIInChI=1S/C10H8BrClN4O/c1-6-9(11)10(17)16(5-15-6)4-7-2-14-8(12)3-13-7/h2-3,5H,4H2,1H3
InChIKeyWXKGLCAIPWJUIR-UHFFFAOYSA-N
MW315.56 g/mol
LogP1.81
Rot. Bonds2

About 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one

5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one (PubChem CID 103054598) 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]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
PubChem CID103054598
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2cnc(Cl)cn2)c(=O)c1Br
InChIInChI=1S/C10H8BrClN4O/c1-6-9(11)10(17)16(5-15-6)4-7-2-14-8(12)3-13-7/h2-3,5H,4H2,1H3
InChIKeyWXKGLCAIPWJUIR-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

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Related Compounds

3-[(5-Chloropyrazin-2-yl)methyl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 117885702
1-[4-[(5-Chloropyrazin-2-yl)methyl]piperazin-1-yl]ethanone
CID 103053989
5-Bromo-1-[(5-chloropyrazin-2-yl)methyl]pyridin-2-one
CID 103054469
3-[(5-Chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one
CID 103054515
3-[(5-Chloropyrazin-2-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 103054567
3-[(5-Chloropyrazin-2-yl)methyl]pyrimidin-4-one
CID 103054568
5-Bromo-3-[(5-chloropyrazin-2-yl)methyl]pyrimidin-4-one
CID 103054597
5-Bromo-3-[(5-chloropyrazin-2-yl)methyl]-2-methylpyrimidin-4-one
CID 103054599
3-[(5-Chloropyrazin-2-yl)methyl]-5-iodopyrimidin-4-one
CID 103054600
3-[(5-Chloropyrazin-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 103054601
3-[(5-Chloropyrazin-2-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 103054602
3-[(5-Chloropyrazin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 103054607

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one (CID 103054598) is 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one is Cc1ncn(Cc2cnc(Cl)cn2)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is WXKGLCAIPWJUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c1-6-9(11)10(17)16(5-15-6)4-7-2-14-8(12)3-13-7/h2-3,5H,4H2,1H3.
What are the key properties of 5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-methylpyrimidin-4-one?
5-bromo-3-[(5-chloropyrazin-2-yl)methyl]-6-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]-6-methylpyrimidin-4-one is sourced from PubChem (CID 103054598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).