6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine

C17H20N6O3 — CID 146575033

IUPAC6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine
SMILESCOc1ccc(OC)c(Nc2nc(N)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C17H20N6O3/c1-24-10-5-6-12(25-2)11(8-10)20-15-14-16(22-17(18)21-15)23(9-19-14)13-4-3-7-26-13/h5-6,8-9,13H,3-4,7H2,1-2H3,(H3,18,20,21,22)
InChIKeyHEZCEGJKSXIITM-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.48
Rot. Bonds5

About 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine

6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine (PubChem CID 146575033) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine
PubChem CID146575033
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine
SMILESCOc1ccc(OC)c(Nc2nc(N)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C17H20N6O3/c1-24-10-5-6-12(25-2)11(8-10)20-15-14-16(22-17(18)21-15)23(9-19-14)13-4-3-7-26-13/h5-6,8-9,13H,3-4,7H2,1-2H3,(H3,18,20,21,22)
InChIKeyHEZCEGJKSXIITM-UHFFFAOYSA-N
XLogP2.48
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-bromo-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574819
N-(2,5-dimethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575045
2-bromo-N-(2,5-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574775
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
CID 146575052
2-fluoro-9-(oxolan-2-yl)-N-(2,3,5-trimethoxyphenyl)purin-6-amine
CID 162441190
6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574948
N-(2-bromo-3-methoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575136
2-bromo-N-(2,3-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574607
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
N-(2-chloro-3-methoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575313

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The IUPAC name of 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine (CID 146575033) is 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The canonical SMILES for 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine is COc1ccc(OC)c(Nc2nc(N)nc3c2ncn3C2CCCO2)c1.
What is the InChIKey of 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
The InChIKey is HEZCEGJKSXIITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-24-10-5-6-12(25-2)11(8-10)20-15-14-16(22-17(18)21-15)23(9-19-14)13-4-3-7-26-13/h5-6,8-9,13H,3-4,7H2,1-2H3,(H3,18,20,21,22).
What are the key properties of 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine?
6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine has a molecular weight of 356.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethoxyphenyl)-9-(oxolan-2-yl)purine-2,6-diamine is sourced from PubChem (CID 146575033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).