N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H13F3N4 — CID 1475716

IUPACN-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)14-10-15(22-11-12-6-2-1-3-7-12)24-16(23-14)13-8-4-5-9-21-13/h1-10H,11H2,(H,22,23,24)
InChIKeyHOPOGXURFUBCKZ-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.17
Rot. Bonds4

About N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 1475716) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID1475716
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC NameN-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)14-10-15(22-11-12-6-2-1-3-7-12)24-16(23-14)13-8-4-5-9-21-13/h1-10H,11H2,(H,22,23,24)
InChIKeyHOPOGXURFUBCKZ-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-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 1475716) is N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HOPOGXURFUBCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c18-17(19,20)14-10-15(22-11-12-6-2-1-3-7-12)24-16(23-14)13-8-4-5-9-21-13/h1-10H,11H2,(H,22,23,24).
What are the key properties of N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)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-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 1475716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).