6-chloro-5-iodopyrimidin-4-amine

C4H3ClIN3 — CID 46855833

IUPAC6-chloro-5-iodopyrimidin-4-amine
SMILESNc1ncnc(Cl)c1I
InChIInChI=1S/C4H3ClIN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
InChIKeyICVYKJSDWGGRNE-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.32
Rot. Bonds

About 6-chloro-5-iodopyrimidin-4-amine

6-chloro-5-iodopyrimidin-4-amine (PubChem CID 46855833) has the molecular formula C4H3ClIN3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 6-chloro-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-iodopyrimidin-4-amine
PubChem CID46855833
Molecular FormulaC4H3ClIN3
Molecular Weight255.45 g/mol
Exact Mass254.91
IUPAC Name6-chloro-5-iodopyrimidin-4-amine
SMILESNc1ncnc(Cl)c1I
InChIInChI=1S/C4H3ClIN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9)
InChIKeyICVYKJSDWGGRNE-UHFFFAOYSA-N
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.32
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 6-chloro-5-iodopyrimidin-4-amine?
The IUPAC name of 6-chloro-5-iodopyrimidin-4-amine (CID 46855833) is 6-chloro-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-iodopyrimidin-4-amine is Nc1ncnc(Cl)c1I.
What is the InChIKey of 6-chloro-5-iodopyrimidin-4-amine?
The InChIKey is ICVYKJSDWGGRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClIN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9).
What are the key properties of 6-chloro-5-iodopyrimidin-4-amine?
6-chloro-5-iodopyrimidin-4-amine has a molecular weight of 255.45 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodopyrimidin-4-amine is sourced from PubChem (CID 46855833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).