5-(2-iodoethyl)pyrimidine-2,4-diamine

C6H9IN4 — CID 130205960

IUPAC5-(2-iodoethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CCI)c(N)n1
InChIInChI=1S/C6H9IN4/c7-2-1-4-3-10-6(9)11-5(4)8/h3H,1-2H2,(H4,8,9,10,11)
InChIKeyGKVCYUTYIDYDNV-UHFFFAOYSA-N
MW264.07 g/mol
LogP0.62
Rot. Bonds2

About 5-(2-iodoethyl)pyrimidine-2,4-diamine

5-(2-iodoethyl)pyrimidine-2,4-diamine (PubChem CID 130205960) has the molecular formula C6H9IN4 and a molecular weight of 264.07 g/mol. Its IUPAC name is 5-(2-iodoethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-iodoethyl)pyrimidine-2,4-diamine
PubChem CID130205960
Molecular FormulaC6H9IN4
Molecular Weight264.07 g/mol
Exact Mass263.99
IUPAC Name5-(2-iodoethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CCI)c(N)n1
InChIInChI=1S/C6H9IN4/c7-2-1-4-3-10-6(9)11-5(4)8/h3H,1-2H2,(H4,8,9,10,11)
InChIKeyGKVCYUTYIDYDNV-UHFFFAOYSA-N
XLogP0.62
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(2-iodoethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-iodoethyl)pyrimidine-2,4-diamine (CID 130205960) is 5-(2-iodoethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-iodoethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-iodoethyl)pyrimidine-2,4-diamine is Nc1ncc(CCI)c(N)n1.
What is the InChIKey of 5-(2-iodoethyl)pyrimidine-2,4-diamine?
The InChIKey is GKVCYUTYIDYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN4/c7-2-1-4-3-10-6(9)11-5(4)8/h3H,1-2H2,(H4,8,9,10,11).
What are the key properties of 5-(2-iodoethyl)pyrimidine-2,4-diamine?
5-(2-iodoethyl)pyrimidine-2,4-diamine has a molecular weight of 264.07 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodoethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130205960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).