6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine

C18H21N5O — CID 1540

IUPAC6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine
SMILESc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)
InChIKeyXWWRLKIBRPJQJX-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.06
Rot. Bonds5

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

6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine (PubChem CID 1540) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine
PubChem CID1540
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine
SMILESc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)
InChIKeyXWWRLKIBRPJQJX-UHFFFAOYSA-N
XLogP4.06
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine (CID 1540) is 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine is c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine?
The InChIKey is XWWRLKIBRPJQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23).
What are the key properties of 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-phenyl-7H-purin-2-amine is sourced from PubChem (CID 1540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).