N-(2-phenylethyl)-7H-purin-6-amine

C13H13N5 — CID 756669

IUPACN-(2-phenylethyl)-7H-purin-6-amine
SMILESc1ccc(CCNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18)
InChIKeyGPGPFPKQCMKMDY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds4

About N-(2-phenylethyl)-7H-purin-6-amine

N-(2-phenylethyl)-7H-purin-6-amine (PubChem CID 756669) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-phenylethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-7H-purin-6-amine
PubChem CID756669
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-(2-phenylethyl)-7H-purin-6-amine
SMILESc1ccc(CCNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18)
InChIKeyGPGPFPKQCMKMDY-UHFFFAOYSA-N
XLogP2.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-7H-purin-6-amine?
The IUPAC name of N-(2-phenylethyl)-7H-purin-6-amine (CID 756669) is N-(2-phenylethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-phenylethyl)-7H-purin-6-amine?
The canonical SMILES for N-(2-phenylethyl)-7H-purin-6-amine is c1ccc(CCNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-(2-phenylethyl)-7H-purin-6-amine?
The InChIKey is GPGPFPKQCMKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18).
What are the key properties of N-(2-phenylethyl)-7H-purin-6-amine?
N-(2-phenylethyl)-7H-purin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-7H-purin-6-amine is sourced from PubChem (CID 756669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).