4,6-dichloro-5-iodopyrimidin-2-amine

C4H2Cl2IN3 — CID 62706698

IUPAC4,6-dichloro-5-iodopyrimidin-2-amine
SMILESNc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C4H2Cl2IN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)
InChIKeyIQVQQIGQOSEIAX-UHFFFAOYSA-N
MW289.89 g/mol
LogP1.97
Rot. Bonds

About 4,6-dichloro-5-iodopyrimidin-2-amine

4,6-dichloro-5-iodopyrimidin-2-amine (PubChem CID 62706698) has the molecular formula C4H2Cl2IN3 and a molecular weight of 289.89 g/mol. Its IUPAC name is 4,6-dichloro-5-iodopyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-iodopyrimidin-2-amine
PubChem CID62706698
Molecular FormulaC4H2Cl2IN3
Molecular Weight289.89 g/mol
Exact Mass288.87
IUPAC Name4,6-dichloro-5-iodopyrimidin-2-amine
SMILESNc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C4H2Cl2IN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)
InChIKeyIQVQQIGQOSEIAX-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 51.97
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 4,6-dichloro-5-iodopyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-iodopyrimidin-2-amine (CID 62706698) is 4,6-dichloro-5-iodopyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-iodopyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-iodopyrimidin-2-amine is Nc1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodopyrimidin-2-amine?
The InChIKey is IQVQQIGQOSEIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2IN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10).
What are the key properties of 4,6-dichloro-5-iodopyrimidin-2-amine?
4,6-dichloro-5-iodopyrimidin-2-amine has a molecular weight of 289.89 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodopyrimidin-2-amine is sourced from PubChem (CID 62706698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).