N-benzyl-9-prop-2-enylpurin-6-amine

C15H15N5 — CID 1258251

IUPACN-benzyl-9-prop-2-enylpurin-6-amine
SMILESC=CCn1cnc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C15H15N5/c1-2-8-20-11-19-13-14(17-10-18-15(13)20)16-9-12-6-4-3-5-7-12/h2-7,10-11H,1,8-9H2,(H,16,17,18)
InChIKeyMDTPBXATQAZYAC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds5

About N-benzyl-9-prop-2-enylpurin-6-amine

N-benzyl-9-prop-2-enylpurin-6-amine (PubChem CID 1258251) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-benzyl-9-prop-2-enylpurin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-prop-2-enylpurin-6-amine
PubChem CID1258251
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-benzyl-9-prop-2-enylpurin-6-amine
SMILESC=CCn1cnc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C15H15N5/c1-2-8-20-11-19-13-14(17-10-18-15(13)20)16-9-12-6-4-3-5-7-12/h2-7,10-11H,1,8-9H2,(H,16,17,18)
InChIKeyMDTPBXATQAZYAC-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-prop-2-enylpurin-6-amine?
The IUPAC name of N-benzyl-9-prop-2-enylpurin-6-amine (CID 1258251) is N-benzyl-9-prop-2-enylpurin-6-amine.
What is the SMILES notation for N-benzyl-9-prop-2-enylpurin-6-amine?
The canonical SMILES for N-benzyl-9-prop-2-enylpurin-6-amine is C=CCn1cnc2c(NCc3ccccc3)ncnc21.
What is the InChIKey of N-benzyl-9-prop-2-enylpurin-6-amine?
The InChIKey is MDTPBXATQAZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-8-20-11-19-13-14(17-10-18-15(13)20)16-9-12-6-4-3-5-7-12/h2-7,10-11H,1,8-9H2,(H,16,17,18).
What are the key properties of N-benzyl-9-prop-2-enylpurin-6-amine?
N-benzyl-9-prop-2-enylpurin-6-amine has a molecular weight of 265.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-prop-2-enylpurin-6-amine is sourced from PubChem (CID 1258251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).