2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol

C7H10ClN5O — CID 141333237

IUPAC2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol
SMILESNc1nc(Cl)c2c(n1)N(CCO)CN2
InChIInChI=1S/C7H10ClN5O/c8-5-4-6(12-7(9)11-5)13(1-2-14)3-10-4/h10,14H,1-3H2,(H2,9,11,12)
InChIKeyXVEYKCNPGUEHAN-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.11
Rot. Bonds2

About 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol

2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol (PubChem CID 141333237) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol
PubChem CID141333237
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol
SMILESNc1nc(Cl)c2c(n1)N(CCO)CN2
InChIInChI=1S/C7H10ClN5O/c8-5-4-6(12-7(9)11-5)13(1-2-14)3-10-4/h10,14H,1-3H2,(H2,9,11,12)
InChIKeyXVEYKCNPGUEHAN-UHFFFAOYSA-N
XLogP-0.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol?
The IUPAC name of 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol (CID 141333237) is 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol.
What is the SMILES notation for 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol?
The canonical SMILES for 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol is Nc1nc(Cl)c2c(n1)N(CCO)CN2.
What is the InChIKey of 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol?
The InChIKey is XVEYKCNPGUEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O/c8-5-4-6(12-7(9)11-5)13(1-2-14)3-10-4/h10,14H,1-3H2,(H2,9,11,12).
What are the key properties of 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol?
2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol has a molecular weight of 215.64 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol is sourced from PubChem (CID 141333237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).