4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H13F3N4 — CID 756538

IUPAC4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)15-9-14(13-6-2-1-3-7-13)23-16(24-15)22-11-12-5-4-8-21-10-12/h1-10H,11H2,(H,22,23,24)
InChIKeyJUYPHOHITMKBLE-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.17
Rot. Bonds4

About 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 756538) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID756538
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC Name4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)15-9-14(13-6-2-1-3-7-13)23-16(24-15)22-11-12-5-4-8-21-10-12/h1-10H,11H2,(H,22,23,24)
InChIKeyJUYPHOHITMKBLE-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 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 756538) is 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1.
What is the InChIKey of 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JUYPHOHITMKBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c18-17(19,20)15-9-14(13-6-2-1-3-7-13)23-16(24-15)22-11-12-5-4-8-21-10-12/h1-10H,11H2,(H,22,23,24).
What are the key properties of 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-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 4-phenyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 756538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).