9-methyl-2-phenylpurin-6-amine

C12H11N5 — CID 121009217

IUPAC9-methyl-2-phenylpurin-6-amine
SMILESCn1cnc2c(N)nc(-c3ccccc3)nc21
InChIInChI=1S/C12H11N5/c1-17-7-14-9-10(13)15-11(16-12(9)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,15,16)
InChIKeyLCQOHQHXWYTNHG-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.61
Rot. Bonds1

About 9-methyl-2-phenylpurin-6-amine

9-methyl-2-phenylpurin-6-amine (PubChem CID 121009217) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 9-methyl-2-phenylpurin-6-amine.

Molecular Properties

Compound Name9-methyl-2-phenylpurin-6-amine
PubChem CID121009217
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name9-methyl-2-phenylpurin-6-amine
SMILESCn1cnc2c(N)nc(-c3ccccc3)nc21
InChIInChI=1S/C12H11N5/c1-17-7-14-9-10(13)15-11(16-12(9)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,15,16)
InChIKeyLCQOHQHXWYTNHG-UHFFFAOYSA-N
XLogP1.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-phenylpurin-6-amine?
The IUPAC name of 9-methyl-2-phenylpurin-6-amine (CID 121009217) is 9-methyl-2-phenylpurin-6-amine.
What is the SMILES notation for 9-methyl-2-phenylpurin-6-amine?
The canonical SMILES for 9-methyl-2-phenylpurin-6-amine is Cn1cnc2c(N)nc(-c3ccccc3)nc21.
What is the InChIKey of 9-methyl-2-phenylpurin-6-amine?
The InChIKey is LCQOHQHXWYTNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-17-7-14-9-10(13)15-11(16-12(9)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,15,16).
What are the key properties of 9-methyl-2-phenylpurin-6-amine?
9-methyl-2-phenylpurin-6-amine has a molecular weight of 225.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-phenylpurin-6-amine is sourced from PubChem (CID 121009217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).