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

C9H12F3N3 — CID 66615493

IUPAC6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1ncnc(N)c1C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-8(2,3)6-5(9(10,11)12)7(13)15-4-14-6/h4H,1-3H3,(H2,13,14,15)
InChIKeyRUQSLJCZFYFIRP-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.38
Rot. Bonds

About 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine

6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 66615493) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID66615493
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1ncnc(N)c1C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-8(2,3)6-5(9(10,11)12)7(13)15-4-14-6/h4H,1-3H3,(H2,13,14,15)
InChIKeyRUQSLJCZFYFIRP-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 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 66615493) is 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine is CC(C)(C)c1ncnc(N)c1C(F)(F)F.
What is the InChIKey of 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RUQSLJCZFYFIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-8(2,3)6-5(9(10,11)12)7(13)15-4-14-6/h4H,1-3H3,(H2,13,14,15).
What are the key properties of 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine?
6-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 6-tert-butyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 66615493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).