9-(2-phenoxyethyl)purin-6-amine

C13H13N5O — CID 783815

IUPAC9-(2-phenoxyethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCOc1ccccc1
InChIInChI=1S/C13H13N5O/c14-12-11-13(16-8-15-12)18(9-17-11)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)
InChIKeyGSPLREGIDRRRML-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.49
Rot. Bonds4

About 9-(2-phenoxyethyl)purin-6-amine

9-(2-phenoxyethyl)purin-6-amine (PubChem CID 783815) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 9-(2-phenoxyethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-phenoxyethyl)purin-6-amine
PubChem CID783815
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name9-(2-phenoxyethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2CCOc1ccccc1
InChIInChI=1S/C13H13N5O/c14-12-11-13(16-8-15-12)18(9-17-11)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)
InChIKeyGSPLREGIDRRRML-UHFFFAOYSA-N
XLogP1.49
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
7H-Adenine, N-(o-methoxyphenyl)-
CID 52000
Nvp-abj688
CID 5288618
Cvt-313
CID 6918386
Cyclohexyl-(2-phenoxy-9H-purin-6-yl)-amine
CID 11771279
6-[(2~{r})-2-[(2-Methylphenoxy)methyl]pyrrolidin-1-Yl]-7~{h}-Purine
CID 16005070
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CID 5289228
9-(2-p-Tolyloxy-ethyl)-9H-purin-6-ylamine
CID 584317
(2R,3R,4S,5R)-2-(6-amino-2-phenoxypurin-9-yl)-5-methyloxolane-3,4-diol
CID 56659837
6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine
CID 212794
9-(4-Methoxyphenyl)-9h-purine-2,6-diamine
CID 240288
9-[(2-methoxyphenyl)methyl]-N-methyl-2-propylpurin-6-amine
CID 9818203

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenoxyethyl)purin-6-amine?
The IUPAC name of 9-(2-phenoxyethyl)purin-6-amine (CID 783815) is 9-(2-phenoxyethyl)purin-6-amine.
What is the SMILES notation for 9-(2-phenoxyethyl)purin-6-amine?
The canonical SMILES for 9-(2-phenoxyethyl)purin-6-amine is Nc1ncnc2c1ncn2CCOc1ccccc1.
What is the InChIKey of 9-(2-phenoxyethyl)purin-6-amine?
The InChIKey is GSPLREGIDRRRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-12-11-13(16-8-15-12)18(9-17-11)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16).
What are the key properties of 9-(2-phenoxyethyl)purin-6-amine?
9-(2-phenoxyethyl)purin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenoxyethyl)purin-6-amine is sourced from PubChem (CID 783815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).