2-cyclopentyl-5-iodopyrimidin-4-amine

C9H12IN3 — CID 66303504

IUPAC2-cyclopentyl-5-iodopyrimidin-4-amine
SMILESNc1nc(C2CCCC2)ncc1I
InChIInChI=1S/C9H12IN3/c10-7-5-12-9(13-8(7)11)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeySWVGPQXVQPGJLX-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.32
Rot. Bonds1

About 2-cyclopentyl-5-iodopyrimidin-4-amine

2-cyclopentyl-5-iodopyrimidin-4-amine (PubChem CID 66303504) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-cyclopentyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-iodopyrimidin-4-amine
PubChem CID66303504
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC Name2-cyclopentyl-5-iodopyrimidin-4-amine
SMILESNc1nc(C2CCCC2)ncc1I
InChIInChI=1S/C9H12IN3/c10-7-5-12-9(13-8(7)11)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeySWVGPQXVQPGJLX-UHFFFAOYSA-N
XLogP2.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.32
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 2-cyclopentyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-5-iodopyrimidin-4-amine (CID 66303504) is 2-cyclopentyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-5-iodopyrimidin-4-amine is Nc1nc(C2CCCC2)ncc1I.
What is the InChIKey of 2-cyclopentyl-5-iodopyrimidin-4-amine?
The InChIKey is SWVGPQXVQPGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3/c10-7-5-12-9(13-8(7)11)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13).
What are the key properties of 2-cyclopentyl-5-iodopyrimidin-4-amine?
2-cyclopentyl-5-iodopyrimidin-4-amine has a molecular weight of 289.12 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).