N-benzyl-9-propan-2-ylpurin-6-amine

C15H17N5 — CID 10730551

IUPACN-benzyl-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
InChIKeyJBLZWJCKPDQCNX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.02
Rot. Bonds4

About N-benzyl-9-propan-2-ylpurin-6-amine

N-benzyl-9-propan-2-ylpurin-6-amine (PubChem CID 10730551) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-benzyl-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-propan-2-ylpurin-6-amine
PubChem CID10730551
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-benzyl-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
InChIKeyJBLZWJCKPDQCNX-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-benzyl-9-propan-2-ylpurin-6-amine (CID 10730551) is N-benzyl-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-benzyl-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-benzyl-9-propan-2-ylpurin-6-amine is CC(C)n1cnc2c(NCc3ccccc3)ncnc21.
What is the InChIKey of N-benzyl-9-propan-2-ylpurin-6-amine?
The InChIKey is JBLZWJCKPDQCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-benzyl-9-propan-2-ylpurin-6-amine?
N-benzyl-9-propan-2-ylpurin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 10730551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).