2-[6-(cyclopentylamino)purin-9-yl]ethanol

C12H17N5O — CID 15693950

IUPAC2-[6-(cyclopentylamino)purin-9-yl]ethanol
SMILESOCCn1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C12H17N5O/c18-6-5-17-8-15-10-11(13-7-14-12(10)17)16-9-3-1-2-4-9/h7-9,18H,1-6H2,(H,13,14,16)
InChIKeyXVKHXAUTWLZBQD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.17
Rot. Bonds4

About 2-[6-(cyclopentylamino)purin-9-yl]ethanol

2-[6-(cyclopentylamino)purin-9-yl]ethanol (PubChem CID 15693950) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[6-(cyclopentylamino)purin-9-yl]ethanol.

Molecular Properties

Compound Name2-[6-(cyclopentylamino)purin-9-yl]ethanol
PubChem CID15693950
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[6-(cyclopentylamino)purin-9-yl]ethanol
SMILESOCCn1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C12H17N5O/c18-6-5-17-8-15-10-11(13-7-14-12(10)17)16-9-3-1-2-4-9/h7-9,18H,1-6H2,(H,13,14,16)
InChIKeyXVKHXAUTWLZBQD-UHFFFAOYSA-N
XLogP1.17
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopentylamino)purin-9-yl]ethanol?
The IUPAC name of 2-[6-(cyclopentylamino)purin-9-yl]ethanol (CID 15693950) is 2-[6-(cyclopentylamino)purin-9-yl]ethanol.
What is the SMILES notation for 2-[6-(cyclopentylamino)purin-9-yl]ethanol?
The canonical SMILES for 2-[6-(cyclopentylamino)purin-9-yl]ethanol is OCCn1cnc2c(NC3CCCC3)ncnc21.
What is the InChIKey of 2-[6-(cyclopentylamino)purin-9-yl]ethanol?
The InChIKey is XVKHXAUTWLZBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-6-5-17-8-15-10-11(13-7-14-12(10)17)16-9-3-1-2-4-9/h7-9,18H,1-6H2,(H,13,14,16).
What are the key properties of 2-[6-(cyclopentylamino)purin-9-yl]ethanol?
2-[6-(cyclopentylamino)purin-9-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopentylamino)purin-9-yl]ethanol is sourced from PubChem (CID 15693950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).