9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine

C13H19N7O — CID 123996190

IUPAC9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
SMILESNCC1CCC(n2cnc3c(NC4CC4)nc(N)nc32)O1
InChIInChI=1S/C13H19N7O/c14-5-8-3-4-9(21-8)20-6-16-10-11(17-7-1-2-7)18-13(15)19-12(10)20/h6-9H,1-5,14H2,(H3,15,17,18,19)
InChIKeyOGKPAELESRVJGZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.62
Rot. Bonds4

About 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine

9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine (PubChem CID 123996190) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine.

Molecular Properties

Compound Name9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
PubChem CID123996190
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine
SMILESNCC1CCC(n2cnc3c(NC4CC4)nc(N)nc32)O1
InChIInChI=1S/C13H19N7O/c14-5-8-3-4-9(21-8)20-6-16-10-11(17-7-1-2-7)18-13(15)19-12(10)20/h6-9H,1-5,14H2,(H3,15,17,18,19)
InChIKeyOGKPAELESRVJGZ-UHFFFAOYSA-N
XLogP0.62
TPSA116.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 170455114
[(2R,5R)-5-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]oxolan-2-yl]phosphonic acid
CID 70147461
9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
CID 146312165
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
S-[[5-[6-(cyclopentylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721866
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157

Frequently Asked Questions

What is the IUPAC name of 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine?
The IUPAC name of 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine (CID 123996190) is 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine.
What is the SMILES notation for 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine?
The canonical SMILES for 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine is NCC1CCC(n2cnc3c(NC4CC4)nc(N)nc32)O1.
What is the InChIKey of 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine?
The InChIKey is OGKPAELESRVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c14-5-8-3-4-9(21-8)20-6-16-10-11(17-7-1-2-7)18-13(15)19-12(10)20/h6-9H,1-5,14H2,(H3,15,17,18,19).
What are the key properties of 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine?
9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine has a molecular weight of 289.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(aminomethyl)oxolan-2-yl]-6-N-cyclopropylpurine-2,6-diamine is sourced from PubChem (CID 123996190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).