2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C18H12F6N4 — CID 1478457

IUPAC2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C18H12F6N4/c19-17(20,21)12-6-2-1-5-11(12)10-26-15-9-14(18(22,23)24)27-16(28-15)13-7-3-4-8-25-13/h1-9H,10H2,(H,26,27,28)
InChIKeyOBQDCYHWOGJBHE-UHFFFAOYSA-N
MW398.31 g/mol
LogP5.19
Rot. Bonds4

About 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 1478457) has the molecular formula C18H12F6N4 and a molecular weight of 398.31 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID1478457
Molecular FormulaC18H12F6N4
Molecular Weight398.31 g/mol
Exact Mass398.10
IUPAC Name2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C18H12F6N4/c19-17(20,21)12-6-2-1-5-11(12)10-26-15-9-14(18(22,23)24)27-16(28-15)13-7-3-4-8-25-13/h1-9H,10H2,(H,26,27,28)
InChIKeyOBQDCYHWOGJBHE-UHFFFAOYSA-N
XLogP5.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 1478457) is 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1cc(NCc2ccccc2C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is OBQDCYHWOGJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4/c19-17(20,21)12-6-2-1-5-11(12)10-26-15-9-14(18(22,23)24)27-16(28-15)13-7-3-4-8-25-13/h1-9H,10H2,(H,26,27,28).
What are the key properties of 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 398.31 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 1478457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).