7-iodopyrrolo[2,3-d]pyrimidin-4-amine

C6H5IN4 — CID 135256977

IUPAC7-iodopyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2I
InChIInChI=1S/C6H5IN4/c7-11-2-1-4-5(8)9-3-10-6(4)11/h1-3H,(H2,8,9,10)
InChIKeyYHYRFYSBYFWSHP-UHFFFAOYSA-N
MW260.04 g/mol
LogP1.21
Rot. Bonds

About 7-iodopyrrolo[2,3-d]pyrimidin-4-amine

7-iodopyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135256977) has the molecular formula C6H5IN4 and a molecular weight of 260.04 g/mol. Its IUPAC name is 7-iodopyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-iodopyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135256977
Molecular FormulaC6H5IN4
Molecular Weight260.04 g/mol
Exact Mass259.96
IUPAC Name7-iodopyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1ccn2I
InChIInChI=1S/C6H5IN4/c7-11-2-1-4-5(8)9-3-10-6(4)11/h1-3H,(H2,8,9,10)
InChIKeyYHYRFYSBYFWSHP-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 51.21
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-N,7-N-diaminopyrrolo[2,3-d]pyrimidine-4,7-diamine
CID 149017523
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 141429263
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 172806885
7-[(2R,3R,4R,5R)-3,4-diethoxy-5-ethyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 163819918
(3R)-3-[(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]butane-1,2,4-triol
CID 70829930
(2R,3R,4R,5S,6S,7R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 71171797
(2R,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-chloro-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 126550319
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2R,3R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 59795692
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-5-(hydroxymethyl)thiolan-3-ol
CID 156787179

Frequently Asked Questions

What is the IUPAC name of 7-iodopyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-iodopyrrolo[2,3-d]pyrimidin-4-amine (CID 135256977) is 7-iodopyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-iodopyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-iodopyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1ccn2I.
What is the InChIKey of 7-iodopyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YHYRFYSBYFWSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN4/c7-11-2-1-4-5(8)9-3-10-6(4)11/h1-3H,(H2,8,9,10).
What are the key properties of 7-iodopyrrolo[2,3-d]pyrimidin-4-amine?
7-iodopyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 260.04 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodopyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135256977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).