N-benzyl-9-ethenylpurin-6-amine

C14H13N5 — CID 14035909

IUPACN-benzyl-9-ethenylpurin-6-amine
SMILESC=Cn1cnc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C14H13N5/c1-2-19-10-18-12-13(16-9-17-14(12)19)15-8-11-6-4-3-5-7-11/h2-7,9-10H,1,8H2,(H,15,16,17)
InChIKeyGYLGWCOIHPIWMA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds4

About N-benzyl-9-ethenylpurin-6-amine

N-benzyl-9-ethenylpurin-6-amine (PubChem CID 14035909) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-9-ethenylpurin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-ethenylpurin-6-amine
PubChem CID14035909
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC NameN-benzyl-9-ethenylpurin-6-amine
SMILESC=Cn1cnc2c(NCc3ccccc3)ncnc21
InChIInChI=1S/C14H13N5/c1-2-19-10-18-12-13(16-9-17-14(12)19)15-8-11-6-4-3-5-7-11/h2-7,9-10H,1,8H2,(H,15,16,17)
InChIKeyGYLGWCOIHPIWMA-UHFFFAOYSA-N
XLogP2.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-ethenylpurin-6-amine?
The IUPAC name of N-benzyl-9-ethenylpurin-6-amine (CID 14035909) is N-benzyl-9-ethenylpurin-6-amine.
What is the SMILES notation for N-benzyl-9-ethenylpurin-6-amine?
The canonical SMILES for N-benzyl-9-ethenylpurin-6-amine is C=Cn1cnc2c(NCc3ccccc3)ncnc21.
What is the InChIKey of N-benzyl-9-ethenylpurin-6-amine?
The InChIKey is GYLGWCOIHPIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-19-10-18-12-13(16-9-17-14(12)19)15-8-11-6-4-3-5-7-11/h2-7,9-10H,1,8H2,(H,15,16,17).
What are the key properties of N-benzyl-9-ethenylpurin-6-amine?
N-benzyl-9-ethenylpurin-6-amine has a molecular weight of 251.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-ethenylpurin-6-amine is sourced from PubChem (CID 14035909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).