5-iodo-2-methylsulfanylpyrimidine-4,6-diamine

C5H7IN4S — CID 97046704

IUPAC5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)c(I)c(N)n1
InChIInChI=1S/C5H7IN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10)
InChIKeyUGHMJPIINUNWIA-UHFFFAOYSA-N
MW282.11 g/mol
LogP0.97
Rot. Bonds1

About 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine

5-iodo-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 97046704) has the molecular formula C5H7IN4S and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID97046704
Molecular FormulaC5H7IN4S
Molecular Weight282.11 g/mol
Exact Mass281.94
IUPAC Name5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)c(I)c(N)n1
InChIInChI=1S/C5H7IN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10)
InChIKeyUGHMJPIINUNWIA-UHFFFAOYSA-N
XLogP0.97
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-iodo-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine (CID 97046704) is 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)c(I)c(N)n1.
What is the InChIKey of 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is UGHMJPIINUNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10).
What are the key properties of 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine?
5-iodo-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 282.11 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 97046704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).