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

C11H15F3IN3O — CID 103476299

IUPAC5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc(C(C)C)c1I
InChIInChI=1S/C11H15F3IN3O/c1-6(2)9-8(15)10(16-3)18-7(17-9)4-19-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyCQARLRMLHNYFLI-UHFFFAOYSA-N
MW389.16 g/mol
LogP3.33
Rot. Bonds5

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

5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476299) has the molecular formula C11H15F3IN3O and a molecular weight of 389.16 g/mol. Its IUPAC name is 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476299
Molecular FormulaC11H15F3IN3O
Molecular Weight389.16 g/mol
Exact Mass389.02
IUPAC Name5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc(C(C)C)c1I
InChIInChI=1S/C11H15F3IN3O/c1-6(2)9-8(15)10(16-3)18-7(17-9)4-19-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyCQARLRMLHNYFLI-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 53.33
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-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476299) is 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CNc1nc(COCC(F)(F)F)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is CQARLRMLHNYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3IN3O/c1-6(2)9-8(15)10(16-3)18-7(17-9)4-19-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 389.16 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).