6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine

C18H15N5OS — CID 155902309

IUPAC6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
SMILESNc1nc(OCc2ccccc2)c2[nH]c(/C=C/c3cccs3)nc2n1
InChIInChI=1S/C18H15N5OS/c19-18-22-16-15(17(23-18)24-11-12-5-2-1-3-6-12)20-14(21-16)9-8-13-7-4-10-25-13/h1-10H,11H2,(H3,19,20,21,22,23)/b9-8+
InChIKeyUONXOKVXFNTELD-CMDGGOBGSA-N
MW349.42 g/mol
LogP3.75
Rot. Bonds5

About 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine

6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine (PubChem CID 155902309) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
PubChem CID155902309
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
SMILESNc1nc(OCc2ccccc2)c2[nH]c(/C=C/c3cccs3)nc2n1
InChIInChI=1S/C18H15N5OS/c19-18-22-16-15(17(23-18)24-11-12-5-2-1-3-6-12)20-14(21-16)9-8-13-7-4-10-25-13/h1-10H,11H2,(H3,19,20,21,22,23)/b9-8+
InChIKeyUONXOKVXFNTELD-CMDGGOBGSA-N
XLogP3.75
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine?
The IUPAC name of 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine (CID 155902309) is 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine.
What is the SMILES notation for 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine?
The canonical SMILES for 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine is Nc1nc(OCc2ccccc2)c2[nH]c(/C=C/c3cccs3)nc2n1.
What is the InChIKey of 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine?
The InChIKey is UONXOKVXFNTELD-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15N5OS/c19-18-22-16-15(17(23-18)24-11-12-5-2-1-3-6-12)20-14(21-16)9-8-13-7-4-10-25-13/h1-10H,11H2,(H3,19,20,21,22,23)/b9-8+.
What are the key properties of 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine?
6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine has a molecular weight of 349.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine is sourced from PubChem (CID 155902309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).