2-(5-methoxy-2-propoxyphenyl)purin-6-one

C15H14N4O3 — CID 21250826

IUPAC2-(5-methoxy-2-propoxyphenyl)purin-6-one
SMILESCCCOc1ccc(OC)cc1C1=NC(=O)C2=NC=NC2=N1
InChIInChI=1S/C15H14N4O3/c1-3-6-22-11-5-4-9(21-2)7-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyRKJNPHURBLDBOS-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.65
Rot. Bonds5

About 2-(5-methoxy-2-propoxyphenyl)purin-6-one

2-(5-methoxy-2-propoxyphenyl)purin-6-one (PubChem CID 21250826) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(5-methoxy-2-propoxyphenyl)purin-6-one.

Molecular Properties

Compound Name2-(5-methoxy-2-propoxyphenyl)purin-6-one
PubChem CID21250826
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-(5-methoxy-2-propoxyphenyl)purin-6-one
SMILESCCCOc1ccc(OC)cc1C1=NC(=O)C2=NC=NC2=N1
InChIInChI=1S/C15H14N4O3/c1-3-6-22-11-5-4-9(21-2)7-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyRKJNPHURBLDBOS-UHFFFAOYSA-N
XLogP1.65
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 19981359
2-[2-(2-methylpropoxy)phenyl]purin-6-one
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CID 57165726
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CID 43267828
1-chloro-4-methoxy-2-(3-propylsulfonylpropoxy)benzene
CID 140981926
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
CID 72713700
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
CID 110499819
(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
CID 134834405
2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
CID 22131273

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-propoxyphenyl)purin-6-one?
The IUPAC name of 2-(5-methoxy-2-propoxyphenyl)purin-6-one (CID 21250826) is 2-(5-methoxy-2-propoxyphenyl)purin-6-one.
What is the SMILES notation for 2-(5-methoxy-2-propoxyphenyl)purin-6-one?
The canonical SMILES for 2-(5-methoxy-2-propoxyphenyl)purin-6-one is CCCOc1ccc(OC)cc1C1=NC(=O)C2=NC=NC2=N1.
What is the InChIKey of 2-(5-methoxy-2-propoxyphenyl)purin-6-one?
The InChIKey is RKJNPHURBLDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-6-22-11-5-4-9(21-2)7-10(11)13-18-14-12(15(20)19-13)16-8-17-14/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-(5-methoxy-2-propoxyphenyl)purin-6-one?
2-(5-methoxy-2-propoxyphenyl)purin-6-one has a molecular weight of 298.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-propoxyphenyl)purin-6-one is sourced from PubChem (CID 21250826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).