1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol

C11H14ClN5O — CID 104697738

IUPAC1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(Cl)nc3nc[nH]c23)CCCC1
InChIInChI=1S/C11H14ClN5O/c12-10-16-8(7-9(17-10)15-6-14-7)13-5-11(18)3-1-2-4-11/h6,18H,1-5H2,(H2,13,14,15,16,17)
InChIKeyLHIICXUVOJWVAN-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.72
Rot. Bonds3

About 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol

1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 104697738) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol
PubChem CID104697738
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(Cl)nc3nc[nH]c23)CCCC1
InChIInChI=1S/C11H14ClN5O/c12-10-16-8(7-9(17-10)15-6-14-7)13-5-11(18)3-1-2-4-11/h6,18H,1-5H2,(H2,13,14,15,16,17)
InChIKeyLHIICXUVOJWVAN-UHFFFAOYSA-N
XLogP1.72
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol (CID 104697738) is 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol is OC1(CNc2nc(Cl)nc3nc[nH]c23)CCCC1.
What is the InChIKey of 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is LHIICXUVOJWVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c12-10-16-8(7-9(17-10)15-6-14-7)13-5-11(18)3-1-2-4-11/h6,18H,1-5H2,(H2,13,14,15,16,17).
What are the key properties of 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol?
1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 267.72 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 104697738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).