5-iodo-N-pentan-3-ylpyrimidin-4-amine

C9H14IN3 — CID 65417577

IUPAC5-iodo-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1ncncc1I
InChIInChI=1S/C9H14IN3/c1-3-7(4-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyHTQACMXIBMJWBC-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.68
Rot. Bonds4

About 5-iodo-N-pentan-3-ylpyrimidin-4-amine

5-iodo-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 65417577) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-iodo-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-pentan-3-ylpyrimidin-4-amine
PubChem CID65417577
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name5-iodo-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1ncncc1I
InChIInChI=1S/C9H14IN3/c1-3-7(4-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyHTQACMXIBMJWBC-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-pentan-3-ylpyrimidin-4-amine (CID 65417577) is 5-iodo-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)Nc1ncncc1I.
What is the InChIKey of 5-iodo-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is HTQACMXIBMJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-7(4-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-iodo-N-pentan-3-ylpyrimidin-4-amine?
5-iodo-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 291.14 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 65417577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).