(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol

C11H16N4O4 — CID 70829930

IUPAC(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
SMILESNc1ncnc2c1ccn2CO[C@H](CO)C(O)CO
InChIInChI=1S/C11H16N4O4/c12-10-7-1-2-15(11(7)14-5-13-10)6-19-9(4-17)8(18)3-16/h1-2,5,8-9,16-18H,3-4,6H2,(H2,12,13,14)/t8?,9-/m1/s1
InChIKeyBRJMEELYWMWTDV-YGPZHTELSA-N
MW268.27 g/mol
LogP-1.30
Rot. Bonds6

About (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol

(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol (PubChem CID 70829930) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol.

Molecular Properties

Compound Name(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
PubChem CID70829930
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
SMILESNc1ncnc2c1ccn2CO[C@H](CO)C(O)CO
InChIInChI=1S/C11H16N4O4/c12-10-7-1-2-15(11(7)14-5-13-10)6-19-9(4-17)8(18)3-16/h1-2,5,8-9,16-18H,3-4,6H2,(H2,12,13,14)/t8?,9-/m1/s1
InChIKeyBRJMEELYWMWTDV-YGPZHTELSA-N
XLogP-1.30
TPSA126.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol with MolForge

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Related Compounds

(3R)-3-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
CID 70829931
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
(3R)-2-[(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,3-diol
CID 142854857
propan-2-yl 2-[[[2-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-4-chloro-3-hydroxypentoxy]-phenoxyphosphoryl]amino]propanoate
CID 123386364
2-[(6-amino-8-bromopurin-9-yl)methoxy]propane-1,3-diol
CID 71324086
7-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine
CID 149017523
7-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 135256977
(2S,3S,4S,5S)-2-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methyl]-4,5-difluoro-5-(hydroxymethyl)oxolan-3-ol
CID 178006686
7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 141429263
[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxybutoxy]-bis(2,2-dimethylpropanoyloxymethoxy)-hydroxyphosphanium;ethane
CID 164881788
2-amino-9-[[(2R,3R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxymethyl]-1H-purin-6-one
CID 136768433
2-[(6-aminopurin-9-yl)methoxy]-3-chloropropan-1-ol
CID 14410788

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol?
The IUPAC name of (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol (CID 70829930) is (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol.
What is the SMILES notation for (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol?
The canonical SMILES for (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol is Nc1ncnc2c1ccn2CO[C@H](CO)C(O)CO.
What is the InChIKey of (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol?
The InChIKey is BRJMEELYWMWTDV-YGPZHTELSA-N. The full InChI is InChI=1S/C11H16N4O4/c12-10-7-1-2-15(11(7)14-5-13-10)6-19-9(4-17)8(18)3-16/h1-2,5,8-9,16-18H,3-4,6H2,(H2,12,13,14)/t8?,9-/m1/s1.
What are the key properties of (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol?
(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol has a molecular weight of 268.27 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol is sourced from PubChem (CID 70829930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).