(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol

C12H15N3O4 — CID 143157481

IUPAC(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
SMILESCC1(O)C[C@@H](CO)O[C@H]1c1coc2c(N)ncnc12
InChIInChI=1S/C12H15N3O4/c1-12(17)2-6(3-16)19-10(12)7-4-18-9-8(7)14-5-15-11(9)13/h4-6,10,16-17H,2-3H2,1H3,(H2,13,14,15)/t6-,10-,12?/m0/s1
InChIKeyZOXUWCIMIOFVTI-PQZKDPFISA-N
MW265.27 g/mol
LogP0.38
Rot. Bonds2

About (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol

(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol (PubChem CID 143157481) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
PubChem CID143157481
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
SMILESCC1(O)C[C@@H](CO)O[C@H]1c1coc2c(N)ncnc12
InChIInChI=1S/C12H15N3O4/c1-12(17)2-6(3-16)19-10(12)7-4-18-9-8(7)14-5-15-11(9)13/h4-6,10,16-17H,2-3H2,1H3,(H2,13,14,15)/t6-,10-,12?/m0/s1
InChIKeyZOXUWCIMIOFVTI-PQZKDPFISA-N
XLogP0.38
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 71017914
S-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 11679069
7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol
CID 143157560
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
CID 59859715
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(4-chlorophenyl)-3a-methyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl cyclopropanecarboxylate
CID 25118986
[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
CID 87085793
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 71048291
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5R)-5-[4-(cyclopropylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 66641767

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
The IUPAC name of (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol (CID 143157481) is (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol.
What is the SMILES notation for (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
The canonical SMILES for (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol is CC1(O)C[C@@H](CO)O[C@H]1c1coc2c(N)ncnc12.
What is the InChIKey of (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
The InChIKey is ZOXUWCIMIOFVTI-PQZKDPFISA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(17)2-6(3-16)19-10(12)7-4-18-9-8(7)14-5-15-11(9)13/h4-6,10,16-17H,2-3H2,1H3,(H2,13,14,15)/t6-,10-,12?/m0/s1.
What are the key properties of (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol?
(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol is sourced from PubChem (CID 143157481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).