[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane

C14H24N6O2 — CID 145444491

IUPAC[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
SMILESCC.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1C
InChIInChI=1S/C12H18N6O2.C2H6/c1-6-3-7(4-19)20-11(6)18-5-15-8-9(14-2)16-12(13)17-10(8)18;1-2/h5-7,11,19H,3-4H2,1-2H3,(H3,13,14,16,17);1-2H3/t6-,7-,11+;/m0./s1
InChIKeyXNIUSSXHUSUZME-OOILIHQISA-N
MW308.39 g/mol
LogP1.39
Rot. Bonds3

About [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane

[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane (PubChem CID 145444491) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane.

Molecular Properties

Compound Name[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
PubChem CID145444491
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
SMILESCC.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1C
InChIInChI=1S/C12H18N6O2.C2H6/c1-6-3-7(4-19)20-11(6)18-5-15-8-9(14-2)16-12(13)17-10(8)18;1-2/h5-7,11,19H,3-4H2,1-2H3,(H3,13,14,16,17);1-2H3/t6-,7-,11+;/m0./s1
InChIKeyXNIUSSXHUSUZME-OOILIHQISA-N
XLogP1.39
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane with MolForge

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Related Compounds

9-[(2R,3S,5R)-5-ethyl-3-methyloxolan-2-yl]-6-N-methylpurine-2,6-diamine
CID 145444543
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol
CID 156898267
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl propanoate
CID 167258822
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methyl 3-methylbutanoate
CID 166530844
[(4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 138492411
propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
CID 170602311
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
(3R,4R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 166711753
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
(2R,3R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-chloro-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 171572643
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane?
The IUPAC name of [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane (CID 145444491) is [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane.
What is the SMILES notation for [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane?
The canonical SMILES for [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane is CC.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1C.
What is the InChIKey of [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane?
The InChIKey is XNIUSSXHUSUZME-OOILIHQISA-N. The full InChI is InChI=1S/C12H18N6O2.C2H6/c1-6-3-7(4-19)20-11(6)18-5-15-8-9(14-2)16-12(13)17-10(8)18;1-2/h5-7,11,19H,3-4H2,1-2H3,(H3,13,14,16,17);1-2H3/t6-,7-,11+;/m0./s1.
What are the key properties of [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane?
[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane has a molecular weight of 308.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane is sourced from PubChem (CID 145444491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).