(2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol

C8H10ClN5O — CID 500845

IUPAC(2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C8H10ClN5O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H2,10,12,13)/t4-/m1/s1
InChIKeyVSYWGQIEDLTXSL-SCSAIBSYSA-N
MW227.66 g/mol
LogP0.44
Rot. Bonds2

About (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol

(2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol (PubChem CID 500845) has the molecular formula C8H10ClN5O and a molecular weight of 227.66 g/mol. Its IUPAC name is (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol
PubChem CID500845
Molecular FormulaC8H10ClN5O
Molecular Weight227.66 g/mol
Exact Mass227.06
IUPAC Name(2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C8H10ClN5O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H2,10,12,13)/t4-/m1/s1
InChIKeyVSYWGQIEDLTXSL-SCSAIBSYSA-N
XLogP0.44
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.66
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol (CID 500845) is (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol is C[C@@H](O)Cn1cnc2c(Cl)nc(N)nc21.
What is the InChIKey of (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol?
The InChIKey is VSYWGQIEDLTXSL-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10ClN5O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H2,10,12,13)/t4-/m1/s1.
What are the key properties of (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol?
(2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol has a molecular weight of 227.66 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-amino-6-chloropurin-9-yl)propan-2-ol is sourced from PubChem (CID 500845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).