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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Related Compounds

(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
CID 146503029
2,8-dimethyl-6-phenylmethoxy-7H-purine
CID 22960895
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
2-amino-6-[(Z)-3-hydroxyprop-1-enyl]-4-phenylmethoxy-8H-pteridin-7-one
CID 101405400
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
methyl 2-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]propanoate
CID 143299537
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
CID 16792148

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).