6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

C13H19F4N3O — CID 103476186

IUPAC6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H19F4N3O/c1-12(2,3)8-5-9(18-4)20-10(19-8)6-21-7-13(16,17)11(14)15/h5,11H,6-7H2,1-4H3,(H,18,19,20)
InChIKeyWXZIEDBKIKOWAP-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.23
Rot. Bonds6

About 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (PubChem CID 103476186) has the molecular formula C13H19F4N3O and a molecular weight of 309.31 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
PubChem CID103476186
Molecular FormulaC13H19F4N3O
Molecular Weight309.31 g/mol
Exact Mass309.15
IUPAC Name6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H19F4N3O/c1-12(2,3)8-5-9(18-4)20-10(19-8)6-21-7-13(16,17)11(14)15/h5,11H,6-7H2,1-4H3,(H,18,19,20)
InChIKeyWXZIEDBKIKOWAP-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (CID 103476186) is 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The InChIKey is WXZIEDBKIKOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4N3O/c1-12(2,3)8-5-9(18-4)20-10(19-8)6-21-7-13(16,17)11(14)15/h5,11H,6-7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine has a molecular weight of 309.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).