9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine

C22H19N5O2 — CID 141402857

IUPAC9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine
SMILESCOc1ccc2c(c1)CC(c1ccccc1)=C(Cn1cnc3c(N)ncnc31)O2
InChIInChI=1S/C22H19N5O2/c1-28-16-7-8-18-15(9-16)10-17(14-5-3-2-4-6-14)19(29-18)11-27-13-26-20-21(23)24-12-25-22(20)27/h2-9,12-13H,10-11H2,1H3,(H2,23,24,25)
InChIKeyZONYDHQVSPDWHB-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.46
Rot. Bonds4

About 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine

9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine (PubChem CID 141402857) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine
PubChem CID141402857
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine
SMILESCOc1ccc2c(c1)CC(c1ccccc1)=C(Cn1cnc3c(N)ncnc31)O2
InChIInChI=1S/C22H19N5O2/c1-28-16-7-8-18-15(9-16)10-17(14-5-3-2-4-6-14)19(29-18)11-27-13-26-20-21(23)24-12-25-22(20)27/h2-9,12-13H,10-11H2,1H3,(H2,23,24,25)
InChIKeyZONYDHQVSPDWHB-UHFFFAOYSA-N
XLogP3.46
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine?
The IUPAC name of 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine (CID 141402857) is 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine?
The canonical SMILES for 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine is COc1ccc2c(c1)CC(c1ccccc1)=C(Cn1cnc3c(N)ncnc31)O2.
What is the InChIKey of 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine?
The InChIKey is ZONYDHQVSPDWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-28-16-7-8-18-15(9-16)10-17(14-5-3-2-4-6-14)19(29-18)11-27-13-26-20-21(23)24-12-25-22(20)27/h2-9,12-13H,10-11H2,1H3,(H2,23,24,25).
What are the key properties of 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine?
9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine has a molecular weight of 385.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-methoxy-3-phenyl-4H-chromen-2-yl)methyl]purin-6-amine is sourced from PubChem (CID 141402857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).