2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine

C17H17N7 — CID 25016610

IUPAC2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine
SMILESCc1cc(C)n(-c2nc(Nc3ccccc3)c3ncn(C)c3n2)n1
InChIInChI=1S/C17H17N7/c1-11-9-12(2)24(22-11)17-20-15(19-13-7-5-4-6-8-13)14-16(21-17)23(3)10-18-14/h4-10H,1-3H3,(H,19,20,21)
InChIKeySWQBZPXHGALVPL-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.91
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine

2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine (PubChem CID 25016610) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine
PubChem CID25016610
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine
SMILESCc1cc(C)n(-c2nc(Nc3ccccc3)c3ncn(C)c3n2)n1
InChIInChI=1S/C17H17N7/c1-11-9-12(2)24(22-11)17-20-15(19-13-7-5-4-6-8-13)14-16(21-17)23(3)10-18-14/h4-10H,1-3H3,(H,19,20,21)
InChIKeySWQBZPXHGALVPL-UHFFFAOYSA-N
XLogP2.91
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine (CID 25016610) is 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine is Cc1cc(C)n(-c2nc(Nc3ccccc3)c3ncn(C)c3n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine?
The InChIKey is SWQBZPXHGALVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-11-9-12(2)24(22-11)17-20-15(19-13-7-5-4-6-8-13)14-16(21-17)23(3)10-18-14/h4-10H,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine?
2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine has a molecular weight of 319.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine is sourced from PubChem (CID 25016610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).