6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine

C20H25N5O — CID 5329554

IUPAC6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine
SMILESCCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C20H25N5O/c1-2-14-9-6-10-16(11-14)23-20-24-18-17(21-13-22-18)19(25-20)26-12-15-7-4-3-5-8-15/h6,9-11,13,15H,2-5,7-8,12H2,1H3,(H2,21,22,23,24,25)
InChIKeyVAJUGYNDKQYFIE-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.62
Rot. Bonds6

About 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine

6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine (PubChem CID 5329554) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine
PubChem CID5329554
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine
SMILESCCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C20H25N5O/c1-2-14-9-6-10-16(11-14)23-20-24-18-17(21-13-22-18)19(25-20)26-12-15-7-4-3-5-8-15/h6,9-11,13,15H,2-5,7-8,12H2,1H3,(H2,21,22,23,24,25)
InChIKeyVAJUGYNDKQYFIE-UHFFFAOYSA-N
XLogP4.62
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine (CID 5329554) is 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine is CCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine?
The InChIKey is VAJUGYNDKQYFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-14-9-6-10-16(11-14)23-20-24-18-17(21-13-22-18)19(25-20)26-12-15-7-4-3-5-8-15/h6,9-11,13,15H,2-5,7-8,12H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine has a molecular weight of 351.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-(3-ethylphenyl)-7H-purin-2-amine is sourced from PubChem (CID 5329554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).