8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine

C14H13N5O — CID 167912800

IUPAC8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine
SMILESC=CCOc1cccc(-c2nc3nc(N)ncc3[nH]2)c1
InChIInChI=1S/C14H13N5O/c1-2-6-20-10-5-3-4-9(7-10)12-17-11-8-16-14(15)19-13(11)18-12/h2-5,7-8H,1,6H2,(H3,15,16,17,18,19)
InChIKeyGMWPCFZDRDAHCB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.17
Rot. Bonds4

About 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine

8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine (PubChem CID 167912800) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine
PubChem CID167912800
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine
SMILESC=CCOc1cccc(-c2nc3nc(N)ncc3[nH]2)c1
InChIInChI=1S/C14H13N5O/c1-2-6-20-10-5-3-4-9(7-10)12-17-11-8-16-14(15)19-13(11)18-12/h2-5,7-8H,1,6H2,(H3,15,16,17,18,19)
InChIKeyGMWPCFZDRDAHCB-UHFFFAOYSA-N
XLogP2.17
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
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 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine?
The IUPAC name of 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine (CID 167912800) is 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine.
What is the SMILES notation for 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine?
The canonical SMILES for 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine is C=CCOc1cccc(-c2nc3nc(N)ncc3[nH]2)c1.
What is the InChIKey of 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine?
The InChIKey is GMWPCFZDRDAHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-6-20-10-5-3-4-9(7-10)12-17-11-8-16-14(15)19-13(11)18-12/h2-5,7-8H,1,6H2,(H3,15,16,17,18,19).
What are the key properties of 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine?
8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine is sourced from PubChem (CID 167912800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).