[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol

C17H28N6O4 — CID 156898267

IUPAC[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol
SMILESCNc1nc(N)nc2c1ncn2C1OC(CO)CC1C.OC1CCCCO1
InChIInChI=1S/C12H18N6O2.C5H10O2/c1-6-3-7(4-19)20-11(6)18-5-15-8-9(14-2)16-12(13)17-10(8)18;6-5-3-1-2-4-7-5/h5-7,11,19H,3-4H2,1-2H3,(H3,13,14,16,17);5-6H,1-4H2
InChIKeyHCHUJEQEXLMVLG-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.87
Rot. Bonds3

About [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol

[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol (PubChem CID 156898267) has the molecular formula C17H28N6O4 and a molecular weight of 380.45 g/mol. Its IUPAC name is [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol.

Molecular Properties

Compound Name[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol
PubChem CID156898267
Molecular FormulaC17H28N6O4
Molecular Weight380.45 g/mol
Exact Mass380.22
IUPAC Name[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol
SMILESCNc1nc(N)nc2c1ncn2C1OC(CO)CC1C.OC1CCCCO1
InChIInChI=1S/C12H18N6O2.C5H10O2/c1-6-3-7(4-19)20-11(6)18-5-15-8-9(14-2)16-12(13)17-10(8)18;6-5-3-1-2-4-7-5/h5-7,11,19H,3-4H2,1-2H3,(H3,13,14,16,17);5-6H,1-4H2
InChIKeyHCHUJEQEXLMVLG-UHFFFAOYSA-N
XLogP0.87
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491
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]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
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
propan-2-yl 2-[2-[[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methoxy]hydrazinyl]acetate
CID 170602311
(3R,4R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 166711753
[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol
CID 71158776
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(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 [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol?
The IUPAC name of [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol (CID 156898267) is [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol.
What is the SMILES notation for [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol?
The canonical SMILES for [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol is CNc1nc(N)nc2c1ncn2C1OC(CO)CC1C.OC1CCCCO1.
What is the InChIKey of [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol?
The InChIKey is HCHUJEQEXLMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2.C5H10O2/c1-6-3-7(4-19)20-11(6)18-5-15-8-9(14-2)16-12(13)17-10(8)18;6-5-3-1-2-4-7-5/h5-7,11,19H,3-4H2,1-2H3,(H3,13,14,16,17);5-6H,1-4H2.
What are the key properties of [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol?
[5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol has a molecular weight of 380.45 g/mol, XLogP of 0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;oxan-2-ol is sourced from PubChem (CID 156898267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).