N-(2-iodoethyl)pyrimidin-2-amine

C6H8IN3 — CID 122607356

IUPACN-(2-iodoethyl)pyrimidin-2-amine
SMILESICCNc1ncccn1
InChIInChI=1S/C6H8IN3/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5H2,(H,8,9,10)
InChIKeyHIZDIGBKOPGRBT-UHFFFAOYSA-N
MW249.06 g/mol
LogP1.32
Rot. Bonds3

About N-(2-iodoethyl)pyrimidin-2-amine

N-(2-iodoethyl)pyrimidin-2-amine (PubChem CID 122607356) has the molecular formula C6H8IN3 and a molecular weight of 249.06 g/mol. Its IUPAC name is N-(2-iodoethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-iodoethyl)pyrimidin-2-amine
PubChem CID122607356
Molecular FormulaC6H8IN3
Molecular Weight249.06 g/mol
Exact Mass248.98
IUPAC NameN-(2-iodoethyl)pyrimidin-2-amine
SMILESICCNc1ncccn1
InChIInChI=1S/C6H8IN3/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5H2,(H,8,9,10)
InChIKeyHIZDIGBKOPGRBT-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-iodoethyl)pyrimidin-2-amine (CID 122607356) is N-(2-iodoethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-iodoethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-iodoethyl)pyrimidin-2-amine is ICCNc1ncccn1.
What is the InChIKey of N-(2-iodoethyl)pyrimidin-2-amine?
The InChIKey is HIZDIGBKOPGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5H2,(H,8,9,10).
What are the key properties of N-(2-iodoethyl)pyrimidin-2-amine?
N-(2-iodoethyl)pyrimidin-2-amine has a molecular weight of 249.06 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)pyrimidin-2-amine is sourced from PubChem (CID 122607356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).