N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H13F3N4 — CID 3233599

IUPACN-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)15-6-2-1-5-13(15)14-10-22-11-24-16(14)23-9-12-4-3-7-21-8-12/h1-8,10-11H,9H2,(H,22,23,24)
InChIKeyASCGYPPXVZBQFL-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.17
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3233599) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3233599
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC NameN-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cncnc1NCc1cccnc1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)15-6-2-1-5-13(15)14-10-22-11-24-16(14)23-9-12-4-3-7-21-8-12/h1-8,10-11H,9H2,(H,22,23,24)
InChIKeyASCGYPPXVZBQFL-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3233599) is N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1-c1cncnc1NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ASCGYPPXVZBQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c18-17(19,20)15-6-2-1-5-13(15)14-10-22-11-24-16(14)23-9-12-4-3-7-21-8-12/h1-8,10-11H,9H2,(H,22,23,24).
What are the key properties of N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 330.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3233599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).