6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine

C12H12N6 — CID 71068316

IUPAC6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine
SMILESCc1cnc(Cn2cnc3c(C)ncnc32)cn1
InChIInChI=1S/C12H12N6/c1-8-3-14-10(4-13-8)5-18-7-17-11-9(2)15-6-16-12(11)18/h3-4,6-7H,5H2,1-2H3
InChIKeyMBYRLWXPYCQOPL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.28
Rot. Bonds2

About 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine

6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine (PubChem CID 71068316) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine.

Molecular Properties

Compound Name6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine
PubChem CID71068316
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine
SMILESCc1cnc(Cn2cnc3c(C)ncnc32)cn1
InChIInChI=1S/C12H12N6/c1-8-3-14-10(4-13-8)5-18-7-17-11-9(2)15-6-16-12(11)18/h3-4,6-7H,5H2,1-2H3
InChIKeyMBYRLWXPYCQOPL-UHFFFAOYSA-N
XLogP1.28
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine?
The IUPAC name of 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine (CID 71068316) is 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine.
What is the SMILES notation for 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine?
The canonical SMILES for 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine is Cc1cnc(Cn2cnc3c(C)ncnc32)cn1.
What is the InChIKey of 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine?
The InChIKey is MBYRLWXPYCQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-3-14-10(4-13-8)5-18-7-17-11-9(2)15-6-16-12(11)18/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine?
6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine has a molecular weight of 240.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-[(5-methylpyrazin-2-yl)methyl]purine is sourced from PubChem (CID 71068316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).