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

C16H11F3N4 — CID 1478450

IUPACN-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H11F3N4/c17-16(18,19)13-10-14(21-11-6-2-1-3-7-11)23-15(22-13)12-8-4-5-9-20-12/h1-10H,(H,21,22,23)
InChIKeyCHACNMTZSNLFAT-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.30
Rot. Bonds3

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

N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 1478450) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID1478450
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC NameN-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H11F3N4/c17-16(18,19)13-10-14(21-11-6-2-1-3-7-11)23-15(22-13)12-8-4-5-9-20-12/h1-10H,(H,21,22,23)
InChIKeyCHACNMTZSNLFAT-UHFFFAOYSA-N
XLogP4.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 1478450) is N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(Nc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CHACNMTZSNLFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4/c17-16(18,19)13-10-14(21-11-6-2-1-3-7-11)23-15(22-13)12-8-4-5-9-20-12/h1-10H,(H,21,22,23).
What are the key properties of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 316.29 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 1478450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).