2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol

C10H11N5O — CID 69458930

IUPAC2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol
SMILESNc1ncc2ncn(C(CO)=C3CC3)c2n1
InChIInChI=1S/C10H11N5O/c11-10-12-3-7-9(14-10)15(5-13-7)8(4-16)6-1-2-6/h3,5,16H,1-2,4H2,(H2,11,12,14)
InChIKeySCLBLAPXIVWVTE-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.41
Rot. Bonds2

About 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol

2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol (PubChem CID 69458930) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol.

Molecular Properties

Compound Name2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol
PubChem CID69458930
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol
SMILESNc1ncc2ncn(C(CO)=C3CC3)c2n1
InChIInChI=1S/C10H11N5O/c11-10-12-3-7-9(14-10)15(5-13-7)8(4-16)6-1-2-6/h3,5,16H,1-2,4H2,(H2,11,12,14)
InChIKeySCLBLAPXIVWVTE-UHFFFAOYSA-N
XLogP0.41
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol?
The IUPAC name of 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol (CID 69458930) is 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol.
What is the SMILES notation for 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol?
The canonical SMILES for 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol is Nc1ncc2ncn(C(CO)=C3CC3)c2n1.
What is the InChIKey of 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol?
The InChIKey is SCLBLAPXIVWVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-10-12-3-7-9(14-10)15(5-13-7)8(4-16)6-1-2-6/h3,5,16H,1-2,4H2,(H2,11,12,14).
What are the key properties of 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol?
2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol has a molecular weight of 217.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopurin-9-yl)-2-cyclopropylideneethanol is sourced from PubChem (CID 69458930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).