2-cyclopentyl-4,6-diiodopyrimidine

C9H10I2N2 — CID 90338648

IUPAC2-cyclopentyl-4,6-diiodopyrimidine
SMILESIc1cc(I)nc(C2CCCC2)n1
InChIInChI=1S/C9H10I2N2/c10-7-5-8(11)13-9(12-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyMJUHPIOAENXPDB-UHFFFAOYSA-N
MW400.00 g/mol
LogP3.34
Rot. Bonds1

About 2-cyclopentyl-4,6-diiodopyrimidine

2-cyclopentyl-4,6-diiodopyrimidine (PubChem CID 90338648) has the molecular formula C9H10I2N2 and a molecular weight of 400.00 g/mol. Its IUPAC name is 2-cyclopentyl-4,6-diiodopyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-4,6-diiodopyrimidine
PubChem CID90338648
Molecular FormulaC9H10I2N2
Molecular Weight400.00 g/mol
Exact Mass399.89
IUPAC Name2-cyclopentyl-4,6-diiodopyrimidine
SMILESIc1cc(I)nc(C2CCCC2)n1
InChIInChI=1S/C9H10I2N2/c10-7-5-8(11)13-9(12-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyMJUHPIOAENXPDB-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.00
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4,6-diiodopyrimidine?
The IUPAC name of 2-cyclopentyl-4,6-diiodopyrimidine (CID 90338648) is 2-cyclopentyl-4,6-diiodopyrimidine.
What is the SMILES notation for 2-cyclopentyl-4,6-diiodopyrimidine?
The canonical SMILES for 2-cyclopentyl-4,6-diiodopyrimidine is Ic1cc(I)nc(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-4,6-diiodopyrimidine?
The InChIKey is MJUHPIOAENXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10I2N2/c10-7-5-8(11)13-9(12-7)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2-cyclopentyl-4,6-diiodopyrimidine?
2-cyclopentyl-4,6-diiodopyrimidine has a molecular weight of 400.00 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,6-diiodopyrimidine is sourced from PubChem (CID 90338648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).