(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol

C8H12N6O — CID 70039769

IUPAC(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C8H12N6O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H4,9,10,12,13)/t4-/m1/s1
InChIKeyPGYYDIUNULKKOD-SCSAIBSYSA-N
MW208.23 g/mol
LogP-0.63
Rot. Bonds2

About (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol

(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol (PubChem CID 70039769) has the molecular formula C8H12N6O and a molecular weight of 208.23 g/mol. Its IUPAC name is (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
PubChem CID70039769
Molecular FormulaC8H12N6O
Molecular Weight208.23 g/mol
Exact Mass208.11
IUPAC Name(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C8H12N6O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H4,9,10,12,13)/t4-/m1/s1
InChIKeyPGYYDIUNULKKOD-SCSAIBSYSA-N
XLogP-0.63
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol (CID 70039769) is (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol is C[C@@H](O)Cn1cnc2c(N)nc(N)nc21.
What is the InChIKey of (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol?
The InChIKey is PGYYDIUNULKKOD-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H4,9,10,12,13)/t4-/m1/s1.
What are the key properties of (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol?
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol has a molecular weight of 208.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol is sourced from PubChem (CID 70039769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).