5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C9H11IN4 — CID 58279576

IUPAC5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(I)c2c(N)ncnc21
InChIInChI=1S/C9H11IN4/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyGTKJRPBCSQINJN-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.20
Rot. Bonds1

About 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 58279576) has the molecular formula C9H11IN4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID58279576
Molecular FormulaC9H11IN4
Molecular Weight302.12 g/mol
Exact Mass302.00
IUPAC Name5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(I)c2c(N)ncnc21
InChIInChI=1S/C9H11IN4/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyGTKJRPBCSQINJN-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.20
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 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 58279576) is 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(I)c2c(N)ncnc21.
What is the InChIKey of 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GTKJRPBCSQINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 302.12 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58279576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).