[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol

C12H15N3O3 — CID 71017914

IUPAC[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
SMILESCNc1ncnc2c([C@H]3CC[C@@H](CO)O3)coc12
InChIInChI=1S/C12H15N3O3/c1-13-12-11-10(14-6-15-12)8(5-17-11)9-3-2-7(4-16)18-9/h5-7,9,16H,2-4H2,1H3,(H,13,14,15)/t7-,9+/m0/s1
InChIKeyALDHGSYXIYEKGE-IONNQARKSA-N
MW249.27 g/mol
LogP1.48
Rot. Bonds3

About [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol

[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol (PubChem CID 71017914) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
PubChem CID71017914
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
SMILESCNc1ncnc2c([C@H]3CC[C@@H](CO)O3)coc12
InChIInChI=1S/C12H15N3O3/c1-13-12-11-10(14-6-15-12)8(5-17-11)9-3-2-7(4-16)18-9/h5-7,9,16H,2-4H2,1H3,(H,13,14,15)/t7-,9+/m0/s1
InChIKeyALDHGSYXIYEKGE-IONNQARKSA-N
XLogP1.48
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-5-[4-(cyclopropylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 66641767
(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 143157481
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11952930
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
CID 59859715
[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol
CID 88887092
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 71048291
[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol
CID 131048149
6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
CID 122656730
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 58091476

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol (CID 71017914) is [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol is CNc1ncnc2c([C@H]3CC[C@@H](CO)O3)coc12.
What is the InChIKey of [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
The InChIKey is ALDHGSYXIYEKGE-IONNQARKSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-12-11-10(14-6-15-12)8(5-17-11)9-3-2-7(4-16)18-9/h5-7,9,16H,2-4H2,1H3,(H,13,14,15)/t7-,9+/m0/s1.
What are the key properties of [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol?
[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 71017914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).