2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine

C12H13N7 — CID 118317169

IUPAC2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
SMILESCc1cncc(CNc2nc(C)nc3nc[nH]c23)n1
InChIInChI=1S/C12H13N7/c1-7-3-13-4-9(17-7)5-14-11-10-12(16-6-15-10)19-8(2)18-11/h3-4,6H,5H2,1-2H3,(H2,14,15,16,18,19)
InChIKeyFFXJCGNMVRJVOI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.37
Rot. Bonds3

About 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine

2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine (PubChem CID 118317169) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
PubChem CID118317169
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
SMILESCc1cncc(CNc2nc(C)nc3nc[nH]c23)n1
InChIInChI=1S/C12H13N7/c1-7-3-13-4-9(17-7)5-14-11-10-12(16-6-15-10)19-8(2)18-11/h3-4,6H,5H2,1-2H3,(H2,14,15,16,18,19)
InChIKeyFFXJCGNMVRJVOI-UHFFFAOYSA-N
XLogP1.37
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine (CID 118317169) is 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine is Cc1cncc(CNc2nc(C)nc3nc[nH]c23)n1.
What is the InChIKey of 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine?
The InChIKey is FFXJCGNMVRJVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-7-3-13-4-9(17-7)5-14-11-10-12(16-6-15-10)19-8(2)18-11/h3-4,6H,5H2,1-2H3,(H2,14,15,16,18,19).
What are the key properties of 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine?
2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 118317169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).