2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol

C12H12ClN5O3 — CID 134480627

IUPAC2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
SMILESOCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C12H12ClN5O3/c13-11-16-9(14-6-7-2-1-4-20-7)8-10(17-11)18-12(15-8)21-5-3-19/h1-2,4,19H,3,5-6H2,(H2,14,15,16,17,18)
InChIKeyIQBNPBKSRQVUSG-UHFFFAOYSA-N
MW309.71 g/mol
LogP1.58
Rot. Bonds6

About 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol

2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol (PubChem CID 134480627) has the molecular formula C12H12ClN5O3 and a molecular weight of 309.71 g/mol. Its IUPAC name is 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
PubChem CID134480627
Molecular FormulaC12H12ClN5O3
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
SMILESOCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C12H12ClN5O3/c13-11-16-9(14-6-7-2-1-4-20-7)8-10(17-11)18-12(15-8)21-5-3-19/h1-2,4,19H,3,5-6H2,(H2,14,15,16,17,18)
InChIKeyIQBNPBKSRQVUSG-UHFFFAOYSA-N
XLogP1.58
TPSA109.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine
CID 134480957
2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
CID 134480891
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379880
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
The IUPAC name of 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol (CID 134480627) is 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol.
What is the SMILES notation for 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
The canonical SMILES for 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol is OCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.
What is the InChIKey of 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
The InChIKey is IQBNPBKSRQVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3/c13-11-16-9(14-6-7-2-1-4-20-7)8-10(17-11)18-12(15-8)21-5-3-19/h1-2,4,19H,3,5-6H2,(H2,14,15,16,17,18).
What are the key properties of 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol has a molecular weight of 309.71 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol is sourced from PubChem (CID 134480627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).