[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine

C11H9F3N4 — CID 122693562

IUPAC[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)8-5-17-10(18-6-8)7-1-2-16-9(3-7)4-15/h1-3,5-6H,4,15H2
InChIKeyKHBWLZQCTFYGJO-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.02
Rot. Bonds2

About [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine

[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine (PubChem CID 122693562) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
PubChem CID122693562
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)8-5-17-10(18-6-8)7-1-2-16-9(3-7)4-15/h1-3,5-6H,4,15H2
InChIKeyKHBWLZQCTFYGJO-UHFFFAOYSA-N
XLogP2.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine (CID 122693562) is [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine is NCc1cc(-c2ncc(C(F)(F)F)cn2)ccn1.
What is the InChIKey of [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
The InChIKey is KHBWLZQCTFYGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-11(13,14)8-5-17-10(18-6-8)7-1-2-16-9(3-7)4-15/h1-3,5-6H,4,15H2.
What are the key properties of [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine?
[4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine has a molecular weight of 254.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 122693562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).