6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H9F3N4 — CID 106769451

IUPAC6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H9F3N4/c1-6-2-3-7(5-16-6)8-4-9(15)18-10(17-8)11(12,13)14/h2-5H,1H3,(H2,15,17,18)
InChIKeyYTXBJKQSXBGUAD-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.45
Rot. Bonds1

About 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769451) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769451
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H9F3N4/c1-6-2-3-7(5-16-6)8-4-9(15)18-10(17-8)11(12,13)14/h2-5H,1H3,(H2,15,17,18)
InChIKeyYTXBJKQSXBGUAD-UHFFFAOYSA-N
XLogP2.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769451) is 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(-c2cc(N)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YTXBJKQSXBGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c1-6-2-3-7(5-16-6)8-4-9(15)18-10(17-8)11(12,13)14/h2-5H,1H3,(H2,15,17,18).
What are the key properties of 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 254.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).