N-benzyl-6-phenylpurin-9-amine

C18H15N5 — CID 174682159

IUPACN-benzyl-6-phenylpurin-9-amine
SMILESc1ccc(CNn2cnc3c(-c4ccccc4)ncnc32)cc1
InChIInChI=1S/C18H15N5/c1-3-7-14(8-4-1)11-22-23-13-21-17-16(19-12-20-18(17)23)15-9-5-2-6-10-15/h1-10,12-13,22H,11H2
InChIKeyCJKHCUZQKYTGFX-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.24
Rot. Bonds4

About N-benzyl-6-phenylpurin-9-amine

N-benzyl-6-phenylpurin-9-amine (PubChem CID 174682159) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-6-phenylpurin-9-amine.

Molecular Properties

Compound NameN-benzyl-6-phenylpurin-9-amine
PubChem CID174682159
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-6-phenylpurin-9-amine
SMILESc1ccc(CNn2cnc3c(-c4ccccc4)ncnc32)cc1
InChIInChI=1S/C18H15N5/c1-3-7-14(8-4-1)11-22-23-13-21-17-16(19-12-20-18(17)23)15-9-5-2-6-10-15/h1-10,12-13,22H,11H2
InChIKeyCJKHCUZQKYTGFX-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-phenylpurin-9-amine?
The IUPAC name of N-benzyl-6-phenylpurin-9-amine (CID 174682159) is N-benzyl-6-phenylpurin-9-amine.
What is the SMILES notation for N-benzyl-6-phenylpurin-9-amine?
The canonical SMILES for N-benzyl-6-phenylpurin-9-amine is c1ccc(CNn2cnc3c(-c4ccccc4)ncnc32)cc1.
What is the InChIKey of N-benzyl-6-phenylpurin-9-amine?
The InChIKey is CJKHCUZQKYTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-3-7-14(8-4-1)11-22-23-13-21-17-16(19-12-20-18(17)23)15-9-5-2-6-10-15/h1-10,12-13,22H,11H2.
What are the key properties of N-benzyl-6-phenylpurin-9-amine?
N-benzyl-6-phenylpurin-9-amine has a molecular weight of 301.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-phenylpurin-9-amine is sourced from PubChem (CID 174682159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).