2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine

C9H12F3N3 — CID 66615495

IUPAC2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C9H12F3N3/c1-8(2,3)7-14-4-5(6(13)15-7)9(10,11)12/h4H,1-3H3,(H2,13,14,15)
InChIKeyOXZZYFXLKLYUJL-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.38
Rot. Bonds

About 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine

2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 66615495) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID66615495
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C9H12F3N3/c1-8(2,3)7-14-4-5(6(13)15-7)9(10,11)12/h4H,1-3H3,(H2,13,14,15)
InChIKeyOXZZYFXLKLYUJL-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 66615495) is 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine is CC(C)(C)c1ncc(C(F)(F)F)c(N)n1.
What is the InChIKey of 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OXZZYFXLKLYUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-8(2,3)7-14-4-5(6(13)15-7)9(10,11)12/h4H,1-3H3,(H2,13,14,15).
What are the key properties of 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 219.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 66615495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).