6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C8H9F3IN3 — CID 66298483

IUPAC6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C8H9F3IN3/c1-2-4-6(12)7(13)15-5(14-4)3-8(9,10)11/h2-3H2,1H3,(H2,13,14,15)
InChIKeyOWIGBMDOVYVKDW-UHFFFAOYSA-N
MW331.08 g/mol
LogP2.33
Rot. Bonds2

About 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66298483) has the molecular formula C8H9F3IN3 and a molecular weight of 331.08 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66298483
Molecular FormulaC8H9F3IN3
Molecular Weight331.08 g/mol
Exact Mass330.98
IUPAC Name6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C8H9F3IN3/c1-2-4-6(12)7(13)15-5(14-4)3-8(9,10)11/h2-3H2,1H3,(H2,13,14,15)
InChIKeyOWIGBMDOVYVKDW-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.08
LogP ≤ 52.33
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 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66298483) is 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCc1nc(CC(F)(F)F)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is OWIGBMDOVYVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3IN3/c1-2-4-6(12)7(13)15-5(14-4)3-8(9,10)11/h2-3H2,1H3,(H2,13,14,15).
What are the key properties of 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 331.08 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66298483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).