5,6-diiodopyrimidine-2,4-diamine

C4H4I2N4 — CID 122677619

IUPAC5,6-diiodopyrimidine-2,4-diamine
SMILESNc1nc(N)c(I)c(I)n1
InChIInChI=1S/C4H4I2N4/c5-1-2(6)9-4(8)10-3(1)7/h(H4,7,8,9,10)
InChIKeyGEKWMXFLBRIYTM-UHFFFAOYSA-N
MW361.91 g/mol
LogP0.85
Rot. Bonds

About 5,6-diiodopyrimidine-2,4-diamine

5,6-diiodopyrimidine-2,4-diamine (PubChem CID 122677619) has the molecular formula C4H4I2N4 and a molecular weight of 361.91 g/mol. Its IUPAC name is 5,6-diiodopyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-diiodopyrimidine-2,4-diamine
PubChem CID122677619
Molecular FormulaC4H4I2N4
Molecular Weight361.91 g/mol
Exact Mass361.85
IUPAC Name5,6-diiodopyrimidine-2,4-diamine
SMILESNc1nc(N)c(I)c(I)n1
InChIInChI=1S/C4H4I2N4/c5-1-2(6)9-4(8)10-3(1)7/h(H4,7,8,9,10)
InChIKeyGEKWMXFLBRIYTM-UHFFFAOYSA-N
XLogP0.85
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-Pyrimidinediamine, 5-iodo-
CID 11310900
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
2,4,6-Triaminopyrimidine-5-carbonitrile
CID 46835388
5-Chloropyrimidine-2,4,6-triamine
CID 345635
5-Bromopyrimidine-2,4,6-triamine
CID 23423802
5-Iodo-2-(methylthio)pyrimidine-4,6-diamine
CID 97046704
Diiodopyrimidine-2,5-diamine
CID 145913405
2,5-Difluoro-6-iodopyrimidin-4-amine
CID 130154478
6-Iodopyrimidine-2,4-diamine
CID 85981878
5-Fluoro-4,6-diiodopyrimidin-2-amine
CID 21730831
5-Methylpyrimidine-2,4,6-triamine
CID 3018257
5-Fluoropyrimidine-2,4,6-triamine
CID 12375599

Frequently Asked Questions

What is the IUPAC name of 5,6-diiodopyrimidine-2,4-diamine?
The IUPAC name of 5,6-diiodopyrimidine-2,4-diamine (CID 122677619) is 5,6-diiodopyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-diiodopyrimidine-2,4-diamine?
The canonical SMILES for 5,6-diiodopyrimidine-2,4-diamine is Nc1nc(N)c(I)c(I)n1.
What is the InChIKey of 5,6-diiodopyrimidine-2,4-diamine?
The InChIKey is GEKWMXFLBRIYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4I2N4/c5-1-2(6)9-4(8)10-3(1)7/h(H4,7,8,9,10).
What are the key properties of 5,6-diiodopyrimidine-2,4-diamine?
5,6-diiodopyrimidine-2,4-diamine has a molecular weight of 361.91 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diiodopyrimidine-2,4-diamine is sourced from PubChem (CID 122677619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).