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

C11H16F3N3 — CID 55045244

IUPAC6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-10(2,3)7-5-8(15-4)17-9(16-7)6-11(12,13)14/h5H,6H2,1-4H3,(H,15,16,17)
InChIKeyHQHAIFPFFNSYKM-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.92
Rot. Bonds2

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

6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 55045244) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID55045244
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-10(2,3)7-5-8(15-4)17-9(16-7)6-11(12,13)14/h5H,6H2,1-4H3,(H,15,16,17)
InChIKeyHQHAIFPFFNSYKM-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 55045244) is 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(CC(F)(F)F)n1.
What is the InChIKey of 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is HQHAIFPFFNSYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-10(2,3)7-5-8(15-4)17-9(16-7)6-11(12,13)14/h5H,6H2,1-4H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 55045244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).