5-iodopyrimidine-4,6-diamine

C4H5IN4 — CID 11310900

IUPAC5-iodopyrimidine-4,6-diamine
SMILESNc1ncnc(N)c1I
InChIInChI=1S/C4H5IN4/c5-2-3(6)8-1-9-4(2)7/h1H,(H4,6,7,8,9)
InChIKeyDGHLQCSKEMTMIS-UHFFFAOYSA-N
MW236.02 g/mol
LogP0.25
Rot. Bonds

About 5-iodopyrimidine-4,6-diamine

5-iodopyrimidine-4,6-diamine (PubChem CID 11310900) has the molecular formula C4H5IN4 and a molecular weight of 236.02 g/mol. Its IUPAC name is 5-iodopyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-iodopyrimidine-4,6-diamine
PubChem CID11310900
Molecular FormulaC4H5IN4
Molecular Weight236.02 g/mol
Exact Mass235.96
IUPAC Name5-iodopyrimidine-4,6-diamine
SMILESNc1ncnc(N)c1I
InChIInChI=1S/C4H5IN4/c5-2-3(6)8-1-9-4(2)7/h1H,(H4,6,7,8,9)
InChIKeyDGHLQCSKEMTMIS-UHFFFAOYSA-N
XLogP0.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodopyrimidine-4,6-diamine?
The IUPAC name of 5-iodopyrimidine-4,6-diamine (CID 11310900) is 5-iodopyrimidine-4,6-diamine.
What is the SMILES notation for 5-iodopyrimidine-4,6-diamine?
The canonical SMILES for 5-iodopyrimidine-4,6-diamine is Nc1ncnc(N)c1I.
What is the InChIKey of 5-iodopyrimidine-4,6-diamine?
The InChIKey is DGHLQCSKEMTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN4/c5-2-3(6)8-1-9-4(2)7/h1H,(H4,6,7,8,9).
What are the key properties of 5-iodopyrimidine-4,6-diamine?
5-iodopyrimidine-4,6-diamine has a molecular weight of 236.02 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopyrimidine-4,6-diamine is sourced from PubChem (CID 11310900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).