4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol

C17H19N5O — CID 135438480

IUPAC4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol
SMILESCn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
InChIKeyOKFLBAVQKOJGFD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.09
Rot. Bonds3

About 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol

4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol (PubChem CID 135438480) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol.

Molecular Properties

Compound Name4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol
PubChem CID135438480
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol
SMILESCn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
InChIKeyOKFLBAVQKOJGFD-UHFFFAOYSA-N
XLogP3.09
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol?
The IUPAC name of 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol (CID 135438480) is 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol.
What is the SMILES notation for 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol?
The canonical SMILES for 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol is Cn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21.
What is the InChIKey of 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol?
The InChIKey is OKFLBAVQKOJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol?
4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol has a molecular weight of 309.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopentylamino)-9-methylpurin-8-yl]phenol is sourced from PubChem (CID 135438480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).