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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Related Compounds

5-bromo-6-chloro-3-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 114583574
tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate
CID 58285323
4-[2-chloro-9-(oxolan-3-ylmethyl)purin-6-yl]morpholine;methane;5-[6-morpholin-4-yl-9-(oxolan-3-ylmethyl)purin-2-yl]pyrimidin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 157345720
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 115582514
N,4-ditert-butyl-5-[6-morpholin-4-yl-9-(oxolan-3-ylmethyl)purin-2-yl]pyrimidin-2-amine
CID 87096831
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 155689585
1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
2,6-dichloro-9-[(E)-hept-4-enyl]purine
CID 18440611
N-[2-(2,6-dichloropurin-9-yl)ethyl]methanesulfonamide
CID 58285343
5-[2-(2-amino-6-chloropurin-9-yl)ethyl]-1,3-dioxan-2-one
CID 10827890

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).