2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine

C15H16ClN5O3 — CID 134480891

IUPAC2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
SMILESClc1nc(NCc2ccco2)c2[nH]c(OC[C@@H]3CCCO3)nc2n1
InChIInChI=1S/C15H16ClN5O3/c16-14-19-12(17-7-9-3-1-5-22-9)11-13(20-14)21-15(18-11)24-8-10-4-2-6-23-10/h1,3,5,10H,2,4,6-8H2,(H2,17,18,19,20,21)/t10-/m0/s1
InChIKeyNJIQOVXUMMZJJZ-JTQLQIEISA-N
MW349.78 g/mol
LogP2.77
Rot. Bonds6

About 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine

2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine (PubChem CID 134480891) has the molecular formula C15H16ClN5O3 and a molecular weight of 349.78 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
PubChem CID134480891
Molecular FormulaC15H16ClN5O3
Molecular Weight349.78 g/mol
Exact Mass349.09
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
SMILESClc1nc(NCc2ccco2)c2[nH]c(OC[C@@H]3CCCO3)nc2n1
InChIInChI=1S/C15H16ClN5O3/c16-14-19-12(17-7-9-3-1-5-22-9)11-13(20-14)21-15(18-11)24-8-10-4-2-6-23-10/h1,3,5,10H,2,4,6-8H2,(H2,17,18,19,20,21)/t10-/m0/s1
InChIKeyNJIQOVXUMMZJJZ-JTQLQIEISA-N
XLogP2.77
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine with MolForge

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Related Compounds

2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
CID 134480627
2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine
CID 134480957
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
2-(oxolan-2-ylmethylperoxymethyl)furan
CID 174548710
6-[(2R,3R)-3-aminooxan-2-yl]-2-chloro-N-(furan-2-ylmethyl)-7-iodothieno[3,2-d]pyrimidin-4-amine
CID 170644551
8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine
CID 171561803
2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 972556
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine (CID 134480891) is 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine is Clc1nc(NCc2ccco2)c2[nH]c(OC[C@@H]3CCCO3)nc2n1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine?
The InChIKey is NJIQOVXUMMZJJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16ClN5O3/c16-14-19-12(17-7-9-3-1-5-22-9)11-13(20-14)21-15(18-11)24-8-10-4-2-6-23-10/h1,3,5,10H,2,4,6-8H2,(H2,17,18,19,20,21)/t10-/m0/s1.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine?
2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine has a molecular weight of 349.78 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine is sourced from PubChem (CID 134480891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).