[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol

C12H17N5O — CID 113294054

IUPAC[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ncnc3nc[nH]c23)CCCC1
InChIInChI=1S/C12H17N5O/c18-6-12(3-1-2-4-12)5-13-10-9-11(15-7-14-9)17-8-16-10/h7-8,18H,1-6H2,(H2,13,14,15,16,17)
InChIKeyVJAINTQMEDIIIB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.32
Rot. Bonds4

About [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol

[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol (PubChem CID 113294054) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
PubChem CID113294054
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ncnc3nc[nH]c23)CCCC1
InChIInChI=1S/C12H17N5O/c18-6-12(3-1-2-4-12)5-13-10-9-11(15-7-14-9)17-8-16-10/h7-8,18H,1-6H2,(H2,13,14,15,16,17)
InChIKeyVJAINTQMEDIIIB-UHFFFAOYSA-N
XLogP1.32
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol (CID 113294054) is [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol is OCC1(CNc2ncnc3nc[nH]c23)CCCC1.
What is the InChIKey of [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol?
The InChIKey is VJAINTQMEDIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-6-12(3-1-2-4-12)5-13-10-9-11(15-7-14-9)17-8-16-10/h7-8,18H,1-6H2,(H2,13,14,15,16,17).
What are the key properties of [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol?
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 113294054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).