5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C10H13F3IN3O — CID 103476297

IUPAC5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(COCC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3O/c1-5(2)8-7(14)9(15)17-6(16-8)3-18-4-10(11,12)13/h5H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyZQLFUIFMRHOKJW-UHFFFAOYSA-N
MW375.13 g/mol
LogP2.87
Rot. Bonds4

About 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476297) has the molecular formula C10H13F3IN3O and a molecular weight of 375.13 g/mol. Its IUPAC name is 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476297
Molecular FormulaC10H13F3IN3O
Molecular Weight375.13 g/mol
Exact Mass375.01
IUPAC Name5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(COCC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3O/c1-5(2)8-7(14)9(15)17-6(16-8)3-18-4-10(11,12)13/h5H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyZQLFUIFMRHOKJW-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
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-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476297) is 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CC(C)c1nc(COCC(F)(F)F)nc(N)c1I.
What is the InChIKey of 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is ZQLFUIFMRHOKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3O/c1-5(2)8-7(14)9(15)17-6(16-8)3-18-4-10(11,12)13/h5H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 375.13 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).