2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine

C10H10Cl2N4O — CID 124560527

IUPAC2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine
SMILESClc1nc(Cl)c2ncn(C[C@H]3CCOC3)c2n1
InChIInChI=1S/C10H10Cl2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)3-6-1-2-17-4-6/h5-6H,1-4H2/t6-/m1/s1
InChIKeyCNESPYAXZDEWJM-ZCFIWIBFSA-N
MW273.12 g/mol
LogP2.17
Rot. Bonds2

About 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine

2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine (PubChem CID 124560527) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine.

Molecular Properties

Compound Name2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine
PubChem CID124560527
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine
SMILESClc1nc(Cl)c2ncn(C[C@H]3CCOC3)c2n1
InChIInChI=1S/C10H10Cl2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)3-6-1-2-17-4-6/h5-6H,1-4H2/t6-/m1/s1
InChIKeyCNESPYAXZDEWJM-ZCFIWIBFSA-N
XLogP2.17
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine?
The IUPAC name of 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine (CID 124560527) is 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine.
What is the SMILES notation for 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine?
The canonical SMILES for 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine is Clc1nc(Cl)c2ncn(C[C@H]3CCOC3)c2n1.
What is the InChIKey of 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine?
The InChIKey is CNESPYAXZDEWJM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)3-6-1-2-17-4-6/h5-6H,1-4H2/t6-/m1/s1.
What are the key properties of 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine?
2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine has a molecular weight of 273.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine is sourced from PubChem (CID 124560527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).