2-chloro-6-(oxan-4-ylmethoxy)-7H-purine

C11H13ClN4O2 — CID 113453025

IUPAC2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
SMILESClc1nc(OCC2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H13ClN4O2/c12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-1-3-17-4-2-7/h6-7H,1-5H2,(H,13,14,15,16)
InChIKeyNDLFCMJLUFEYBU-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.81
Rot. Bonds3

About 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine

2-chloro-6-(oxan-4-ylmethoxy)-7H-purine (PubChem CID 113453025) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
PubChem CID113453025
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
SMILESClc1nc(OCC2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H13ClN4O2/c12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-1-3-17-4-2-7/h6-7H,1-5H2,(H,13,14,15,16)
InChIKeyNDLFCMJLUFEYBU-UHFFFAOYSA-N
XLogP1.81
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

O-(6)-Methylguanine
CID 65275
NU-2058
CID 4564
6-Ethoxypurine
CID 87338
O6-Substituted Guanine Deriv. 24
CID 5329510
6-Methoxy-9H-purine
CID 70632
O6-Allylguanine
CID 179571
6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine
CID 5329503
O6-Substituted Guanine Deriv. 26
CID 5329511
O6-Substituted Guanine Deriv. 27
CID 5329512
1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol
CID 445940
6-(Cyclohexylmethoxy)-8-isopropyl-9H-purin-2-amine
CID 9547890
Purine, 2-amino-6-propoxy-
CID 95802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine?
The IUPAC name of 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine (CID 113453025) is 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine is Clc1nc(OCC2CCOCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine?
The InChIKey is NDLFCMJLUFEYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-1-3-17-4-2-7/h6-7H,1-5H2,(H,13,14,15,16).
What are the key properties of 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine?
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine has a molecular weight of 268.70 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(oxan-4-ylmethoxy)-7H-purine is sourced from PubChem (CID 113453025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).