2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol

C10H15N5O2 — CID 162641502

IUPAC2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol
SMILES[2H]C([2H])(C(CO)CO)C([2H])([2H])n1cnc2cnc(N)nc21
InChIInChI=1S/C10H15N5O2/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,14)/i1D2,2D2
InChIKeyWJOWACPJSFGNRM-LNLMKGTHSA-N
MW241.29 g/mol
LogP-0.60
Rot. Bonds5

About 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol

2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol (PubChem CID 162641502) has the molecular formula C10H15N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol
PubChem CID162641502
Molecular FormulaC10H15N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol
SMILES[2H]C([2H])(C(CO)CO)C([2H])([2H])n1cnc2cnc(N)nc21
InChIInChI=1S/C10H15N5O2/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,14)/i1D2,2D2
InChIKeyWJOWACPJSFGNRM-LNLMKGTHSA-N
XLogP-0.60
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol (CID 162641502) is 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol is [2H]C([2H])(C(CO)CO)C([2H])([2H])n1cnc2cnc(N)nc21.
What is the InChIKey of 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol?
The InChIKey is WJOWACPJSFGNRM-LNLMKGTHSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-10-12-3-8-9(14-10)15(6-13-8)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,14)/i1D2,2D2.
What are the key properties of 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol?
2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol has a molecular weight of 241.29 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol is sourced from PubChem (CID 162641502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).