6-(4-propan-2-ylphenoxy)-7H-purin-2-amine

C14H15N5O — CID 114787126

IUPAC6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
SMILESCC(C)c1ccc(Oc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H15N5O/c1-8(2)9-3-5-10(6-4-9)20-13-11-12(17-7-16-11)18-14(15)19-13/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyCZTFHPGUWALKOE-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.85
Rot. Bonds3

About 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine

6-(4-propan-2-ylphenoxy)-7H-purin-2-amine (PubChem CID 114787126) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
PubChem CID114787126
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
SMILESCC(C)c1ccc(Oc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C14H15N5O/c1-8(2)9-3-5-10(6-4-9)20-13-11-12(17-7-16-11)18-14(15)19-13/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyCZTFHPGUWALKOE-UHFFFAOYSA-N
XLogP2.85
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-7H-purin-6-yl)oxy]benzonitrile
CID 114787259
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
CID 104786973
6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
CID 114787836
6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
CID 91991251
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine?
The IUPAC name of 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine (CID 114787126) is 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine is CC(C)c1ccc(Oc2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine?
The InChIKey is CZTFHPGUWALKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(2)9-3-5-10(6-4-9)20-13-11-12(17-7-16-11)18-14(15)19-13/h3-8H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine?
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).