azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate

C11H13IN6O — CID 175842990

IUPACazane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate
SMILESN.Nc1ncnc2c1c(I)cn2-c1cccnc1.O
InChIInChI=1S/C11H8IN5.H3N.H2O/c12-8-5-17(7-2-1-3-14-4-7)11-9(8)10(13)15-6-16-11;;/h1-6H,(H2,13,15,16);1H3;1H2
InChIKeyGYFQZOMZFMWMIG-UHFFFAOYSA-N
MW372.17 g/mol
LogP1.34
Rot. Bonds1

About azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate

azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate (PubChem CID 175842990) has the molecular formula C11H13IN6O and a molecular weight of 372.17 g/mol. Its IUPAC name is azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate.

Molecular Properties

Compound Nameazane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate
PubChem CID175842990
Molecular FormulaC11H13IN6O
Molecular Weight372.17 g/mol
Exact Mass372.02
IUPAC Nameazane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate
SMILESN.Nc1ncnc2c1c(I)cn2-c1cccnc1.O
InChIInChI=1S/C11H8IN5.H3N.H2O/c12-8-5-17(7-2-1-3-14-4-7)11-9(8)10(13)15-6-16-11;;/h1-6H,(H2,13,15,16);1H3;1H2
InChIKeyGYFQZOMZFMWMIG-UHFFFAOYSA-N
XLogP1.34
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 176888439
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
2-[[5-(4-chloro-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]ethanol
CID 146670143
5-iodo-7-prop-2-ynylpyrrolo[2,3-d]pyrimidin-4-amine
CID 134518834
1-pyridin-3-ylimidazol-4-amine
CID 66520794
4-amino-8-phenylpyrido[2,3-d]pyrimidin-5-one
CID 68561547
7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 90703154
7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11495297
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164520972
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
7-(1-cyclopropylprop-2-ynyl)-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 134518922
(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 11689081

Frequently Asked Questions

What is the IUPAC name of azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate?
The IUPAC name of azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate (CID 175842990) is azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate.
What is the SMILES notation for azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate?
The canonical SMILES for azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate is N.Nc1ncnc2c1c(I)cn2-c1cccnc1.O.
What is the InChIKey of azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate?
The InChIKey is GYFQZOMZFMWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5.H3N.H2O/c12-8-5-17(7-2-1-3-14-4-7)11-9(8)10(13)15-6-16-11;;/h1-6H,(H2,13,15,16);1H3;1H2.
What are the key properties of azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate?
azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate has a molecular weight of 372.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate is sourced from PubChem (CID 175842990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).