7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine

C8H9IN4 — CID 68784661

IUPAC7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(I)c2c(N)ncnc21
InChIInChI=1S/C8H9IN4/c1-2-13-3-5(9)6-7(10)11-4-12-8(6)13/h3-4H,2H2,1H3,(H2,10,11,12)
InChIKeyRJRTWMPSBPWQFQ-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.64
Rot. Bonds1

About 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine

7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 68784661) has the molecular formula C8H9IN4 and a molecular weight of 288.09 g/mol. Its IUPAC name is 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID68784661
Molecular FormulaC8H9IN4
Molecular Weight288.09 g/mol
Exact Mass287.99
IUPAC Name7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(I)c2c(N)ncnc21
InChIInChI=1S/C8H9IN4/c1-2-13-3-5(9)6-7(10)11-4-12-8(6)13/h3-4H,2H2,1H3,(H2,10,11,12)
InChIKeyRJRTWMPSBPWQFQ-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine (CID 68784661) is 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine is CCn1cc(I)c2c(N)ncnc21.
What is the InChIKey of 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RJRTWMPSBPWQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4/c1-2-13-3-5(9)6-7(10)11-4-12-8(6)13/h3-4H,2H2,1H3,(H2,10,11,12).
What are the key properties of 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 288.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68784661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).