6-cyclopropyl-5-iodopyrimidin-4-amine

C7H8IN3 — CID 66303587

IUPAC6-cyclopropyl-5-iodopyrimidin-4-amine
SMILESNc1ncnc(C2CC2)c1I
InChIInChI=1S/C7H8IN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyFWUAWWCYWLJDEM-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.54
Rot. Bonds1

About 6-cyclopropyl-5-iodopyrimidin-4-amine

6-cyclopropyl-5-iodopyrimidin-4-amine (PubChem CID 66303587) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodopyrimidin-4-amine
PubChem CID66303587
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC Name6-cyclopropyl-5-iodopyrimidin-4-amine
SMILESNc1ncnc(C2CC2)c1I
InChIInChI=1S/C7H8IN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyFWUAWWCYWLJDEM-UHFFFAOYSA-N
XLogP1.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.54
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 6-cyclopropyl-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodopyrimidin-4-amine (CID 66303587) is 6-cyclopropyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodopyrimidin-4-amine is Nc1ncnc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodopyrimidin-4-amine?
The InChIKey is FWUAWWCYWLJDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3/c8-5-6(4-1-2-4)10-3-11-7(5)9/h3-4H,1-2H2,(H2,9,10,11).
What are the key properties of 6-cyclopropyl-5-iodopyrimidin-4-amine?
6-cyclopropyl-5-iodopyrimidin-4-amine has a molecular weight of 261.07 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).