9-methyl-N-phenylpurin-6-amine

C12H11N5 — CID 13439250

IUPAC9-methyl-N-phenylpurin-6-amine
SMILESCn1cnc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C12H11N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,16)
InChIKeySTTSYIXNIOADQX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.11
Rot. Bonds2

About 9-methyl-N-phenylpurin-6-amine

9-methyl-N-phenylpurin-6-amine (PubChem CID 13439250) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 9-methyl-N-phenylpurin-6-amine.

Molecular Properties

Compound Name9-methyl-N-phenylpurin-6-amine
PubChem CID13439250
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name9-methyl-N-phenylpurin-6-amine
SMILESCn1cnc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C12H11N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,16)
InChIKeySTTSYIXNIOADQX-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imiquimod
CID 57469
Benzylaminopurine
CID 62389
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Meiqx
CID 62275
Glu-P 2
CID 49970
Glu-P 1
CID 49971
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
Cgp74514A
CID 2794188
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
2-(2'-Pyridyl)benzimidazole
CID 70821
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
1-Phenyl-1H-benzoimidazole
CID 606669

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-phenylpurin-6-amine?
The IUPAC name of 9-methyl-N-phenylpurin-6-amine (CID 13439250) is 9-methyl-N-phenylpurin-6-amine.
What is the SMILES notation for 9-methyl-N-phenylpurin-6-amine?
The canonical SMILES for 9-methyl-N-phenylpurin-6-amine is Cn1cnc2c(Nc3ccccc3)ncnc21.
What is the InChIKey of 9-methyl-N-phenylpurin-6-amine?
The InChIKey is STTSYIXNIOADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,16).
What are the key properties of 9-methyl-N-phenylpurin-6-amine?
9-methyl-N-phenylpurin-6-amine has a molecular weight of 225.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-phenylpurin-6-amine is sourced from PubChem (CID 13439250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).