5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C7H7IN4 — CID 176888439

IUPAC5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILES[2H]C([2H])([2H])n1cc(I)c2c(N)ncnc21
InChIInChI=1S/C7H7IN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)/i1D3
InChIKeyVNFSLRASQZPDFQ-FIBGUPNXSA-N
MW277.08 g/mol
LogP1.16
Rot. Bonds1

About 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 176888439) has the molecular formula C7H7IN4 and a molecular weight of 277.08 g/mol. Its IUPAC name is 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID176888439
Molecular FormulaC7H7IN4
Molecular Weight277.08 g/mol
Exact Mass276.99
IUPAC Name5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILES[2H]C([2H])([2H])n1cc(I)c2c(N)ncnc21
InChIInChI=1S/C7H7IN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)/i1D3
InChIKeyVNFSLRASQZPDFQ-FIBGUPNXSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
5-iodo-7-prop-2-ynylpyrrolo[2,3-d]pyrimidin-4-amine
CID 134518834
azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate
CID 175842990
5-iodo-7-methyl-4-phenylsulfanylpyrrolo[2,3-d]pyrimidine
CID 155965431
(2R,3R,4R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 11689081
7-(1-cyclopropylprop-2-ynyl)-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 134518922
N-[4-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methanesulfonamide
CID 58597194
sodium;3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclobutan-1-one;periodate
CID 158702381
tert-butyl 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidine-1-carboxylate
CID 71014270
3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905337
5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 154465619
(2S,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)oxolane-3,4-diol
CID 53252934

Frequently Asked Questions

What is the IUPAC name of 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 176888439) is 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine is [2H]C([2H])([2H])n1cc(I)c2c(N)ncnc21.
What is the InChIKey of 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VNFSLRASQZPDFQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7IN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)/i1D3.
What are the key properties of 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 277.08 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-7-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 176888439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).