9-benzyl-N-cyclopropylpurin-6-amine

C15H15N5 — CID 14022446

IUPAC9-benzyl-N-cyclopropylpurin-6-amine
SMILESc1ccc(Cn2cnc3c(NC4CC4)ncnc32)cc1
InChIInChI=1S/C15H15N5/c1-2-4-11(5-3-1)8-20-10-18-13-14(19-12-6-7-12)16-9-17-15(13)20/h1-5,9-10,12H,6-8H2,(H,16,17,19)
InChIKeyAVSPKBDDPGPKRA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.45
Rot. Bonds4

About 9-benzyl-N-cyclopropylpurin-6-amine

9-benzyl-N-cyclopropylpurin-6-amine (PubChem CID 14022446) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 9-benzyl-N-cyclopropylpurin-6-amine.

Molecular Properties

Compound Name9-benzyl-N-cyclopropylpurin-6-amine
PubChem CID14022446
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name9-benzyl-N-cyclopropylpurin-6-amine
SMILESc1ccc(Cn2cnc3c(NC4CC4)ncnc32)cc1
InChIInChI=1S/C15H15N5/c1-2-4-11(5-3-1)8-20-10-18-13-14(19-12-6-7-12)16-9-17-15(13)20/h1-5,9-10,12H,6-8H2,(H,16,17,19)
InChIKeyAVSPKBDDPGPKRA-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-cyclopropylpurin-6-amine?
The IUPAC name of 9-benzyl-N-cyclopropylpurin-6-amine (CID 14022446) is 9-benzyl-N-cyclopropylpurin-6-amine.
What is the SMILES notation for 9-benzyl-N-cyclopropylpurin-6-amine?
The canonical SMILES for 9-benzyl-N-cyclopropylpurin-6-amine is c1ccc(Cn2cnc3c(NC4CC4)ncnc32)cc1.
What is the InChIKey of 9-benzyl-N-cyclopropylpurin-6-amine?
The InChIKey is AVSPKBDDPGPKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-4-11(5-3-1)8-20-10-18-13-14(19-12-6-7-12)16-9-17-15(13)20/h1-5,9-10,12H,6-8H2,(H,16,17,19).
What are the key properties of 9-benzyl-N-cyclopropylpurin-6-amine?
9-benzyl-N-cyclopropylpurin-6-amine has a molecular weight of 265.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-cyclopropylpurin-6-amine is sourced from PubChem (CID 14022446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).