2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one

C22H17N5O2 — CID 90134384

IUPAC2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one
SMILESNc1ncnc2c1ncn2CCc1oc2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C22H17N5O2/c23-21-19-22(25-12-24-21)27(13-26-19)11-10-17-18(14-6-2-1-3-7-14)20(28)15-8-4-5-9-16(15)29-17/h1-9,12-13H,10-11H2,(H2,23,24,25)
InChIKeyWFDNRPVPFARMFD-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one

2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one (PubChem CID 90134384) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one
PubChem CID90134384
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one
SMILESNc1ncnc2c1ncn2CCc1oc2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C22H17N5O2/c23-21-19-22(25-12-24-21)27(13-26-19)11-10-17-18(14-6-2-1-3-7-14)20(28)15-8-4-5-9-16(15)29-17/h1-9,12-13H,10-11H2,(H2,23,24,25)
InChIKeyWFDNRPVPFARMFD-UHFFFAOYSA-N
XLogP3.42
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-aminopurin-9-yl)methyl]-3-phenylchromen-4-one
CID 58269152
2-[2-(6-aminopurin-9-yl)ethyl]-6-fluoro-3-phenylchromen-4-one
CID 66579114
2-[[4-amino-3-(3-hydroxypropyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-phenylchromen-4-one
CID 58269156
2-[(4-methylbenzimidazol-1-yl)methyl]-3-phenylchromen-4-one
CID 53234840
9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
CID 91300880
3-[(6-aminopurin-9-yl)methyl]-4-(2-fluorophenyl)isochromen-1-one
CID 118131102
2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-(3-fluorophenyl)chromen-4-one
CID 58269217
2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium
CID 7069656
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one?
The IUPAC name of 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one (CID 90134384) is 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one.
What is the SMILES notation for 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one?
The canonical SMILES for 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one is Nc1ncnc2c1ncn2CCc1oc2ccccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one?
The InChIKey is WFDNRPVPFARMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c23-21-19-22(25-12-24-21)27(13-26-19)11-10-17-18(14-6-2-1-3-7-14)20(28)15-8-4-5-9-16(15)29-17/h1-9,12-13H,10-11H2,(H2,23,24,25).
What are the key properties of 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one?
2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one has a molecular weight of 383.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-aminopurin-9-yl)ethyl]-3-phenylchromen-4-one is sourced from PubChem (CID 90134384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).