6-ethyl-5-iodopyrimidine-2,4-diamine

C6H9IN4 — CID 11254067

IUPAC6-ethyl-5-iodopyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1I
InChIInChI=1S/C6H9IN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11)
InChIKeyUSTNJKBQOYRJSF-UHFFFAOYSA-N
MW264.07 g/mol
LogP0.81
Rot. Bonds1

About 6-ethyl-5-iodopyrimidine-2,4-diamine

6-ethyl-5-iodopyrimidine-2,4-diamine (PubChem CID 11254067) has the molecular formula C6H9IN4 and a molecular weight of 264.07 g/mol. Its IUPAC name is 6-ethyl-5-iodopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-iodopyrimidine-2,4-diamine
PubChem CID11254067
Molecular FormulaC6H9IN4
Molecular Weight264.07 g/mol
Exact Mass263.99
IUPAC Name6-ethyl-5-iodopyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1I
InChIInChI=1S/C6H9IN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11)
InChIKeyUSTNJKBQOYRJSF-UHFFFAOYSA-N
XLogP0.81
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 50.81
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 6-ethyl-5-iodopyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-iodopyrimidine-2,4-diamine (CID 11254067) is 6-ethyl-5-iodopyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-iodopyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-iodopyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodopyrimidine-2,4-diamine?
The InChIKey is USTNJKBQOYRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN4/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3,(H4,8,9,10,11).
What are the key properties of 6-ethyl-5-iodopyrimidine-2,4-diamine?
6-ethyl-5-iodopyrimidine-2,4-diamine has a molecular weight of 264.07 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodopyrimidine-2,4-diamine is sourced from PubChem (CID 11254067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).