N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine

C18H20FN5O2 — CID 146575289

IUPACN-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
SMILESCCOc1ccc(Nc2nc(F)nc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C18H20FN5O2/c1-2-25-13-8-6-12(7-9-13)21-16-15-17(23-18(19)22-16)24(11-20-15)14-5-3-4-10-26-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,22,23)
InChIKeyHUHSCAVABVYJOQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.81
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine

N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine (PubChem CID 146575289) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
PubChem CID146575289
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
SMILESCCOc1ccc(Nc2nc(F)nc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C18H20FN5O2/c1-2-25-13-8-6-12(7-9-13)21-16-15-17(23-18(19)22-16)24(11-20-15)14-5-3-4-10-26-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,22,23)
InChIKeyHUHSCAVABVYJOQ-UHFFFAOYSA-N
XLogP3.81
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574792
4-N-[2-fluoro-9-(oxan-2-yl)purin-6-yl]benzene-1,4-diamine
CID 146574821
6-(4-ethoxyanilino)-9-(oxan-2-yl)-1H-purine-2-thione
CID 146575194
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
2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
CID 146575052
N-(4-bromophenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574919
N-(4-chlorophenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574646
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138
4-[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]-3-methylphenol
CID 162440938
2,6-difluoro-9-(oxan-2-yl)purine
CID 155436461
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine (CID 146575289) is N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine is CCOc1ccc(Nc2nc(F)nc3c2ncn3C2CCCCO2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine?
The InChIKey is HUHSCAVABVYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-2-25-13-8-6-12(7-9-13)21-16-15-17(23-18(19)22-16)24(11-20-15)14-5-3-4-10-26-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,22,23).
What are the key properties of N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine?
N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine has a molecular weight of 357.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine is sourced from PubChem (CID 146575289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).