(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol

C11H11N5O4 — CID 163546638

IUPAC(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol
SMILESC=Nc1ncnc2c1ncn2[C@@H]1OC(CO)=C(O)C1O
InChIInChI=1S/C11H11N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-4,8,11,17-19H,1-2H2/t8?,11-/m1/s1
InChIKeyFFOODUGVKONXLB-QHDYGNBISA-N
MW277.24 g/mol
LogP-0.19
Rot. Bonds3

About (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol

(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol (PubChem CID 163546638) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol.

Molecular Properties

Compound Name(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol
PubChem CID163546638
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol
SMILESC=Nc1ncnc2c1ncn2[C@@H]1OC(CO)=C(O)C1O
InChIInChI=1S/C11H11N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-4,8,11,17-19H,1-2H2/t8?,11-/m1/s1
InChIKeyFFOODUGVKONXLB-QHDYGNBISA-N
XLogP-0.19
TPSA125.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[6-[(4-bromophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
CID 154012831
(2R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
CID 168894612
[(2R)-2-(6-aminopurin-9-yl)-3,4-dimethyl-2,3-dihydrofuran-5-yl]methanol
CID 163438236
3-[(2R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-6,7-dihydroxy-6-phenyl-5,7-dihydroimidazo[1,2-a]purin-9-one
CID 155727061
(2R,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59964783
(3S,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21120311
(2R,3R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 11492528
(2R,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 57111415
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 14805334
(5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 59963007
2-[[(2R)-3,4-dihydroxy-2-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]-2,3-dihydrofuran-5-yl]methylcarbamoylamino]acetic acid
CID 142407538
[(2R)-3,4-dihydroxy-2-(6-oxo-1H-purin-9-yl)-2,3-dihydrofuran-5-yl]methyl dihydrogen phosphate
CID 163819141

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol?
The IUPAC name of (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol (CID 163546638) is (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol.
What is the SMILES notation for (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol?
The canonical SMILES for (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol is C=Nc1ncnc2c1ncn2[C@@H]1OC(CO)=C(O)C1O.
What is the InChIKey of (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol?
The InChIKey is FFOODUGVKONXLB-QHDYGNBISA-N. The full InChI is InChI=1S/C11H11N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-4,8,11,17-19H,1-2H2/t8?,11-/m1/s1.
What are the key properties of (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol?
(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol has a molecular weight of 277.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol is sourced from PubChem (CID 163546638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).