N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C16H9Cl2F3N4 — CID 2730488

IUPACN-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H9Cl2F3N4/c17-9-5-10(18)7-11(6-9)23-14-8-13(16(19,20)21)24-15(25-14)12-3-1-2-4-22-12/h1-8H,(H,23,24,25)
InChIKeyYIBURHHWUDXFSU-UHFFFAOYSA-N
MW385.18 g/mol
LogP5.61
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 2730488) has the molecular formula C16H9Cl2F3N4 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID2730488
Molecular FormulaC16H9Cl2F3N4
Molecular Weight385.18 g/mol
Exact Mass384.02
IUPAC NameN-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H9Cl2F3N4/c17-9-5-10(18)7-11(6-9)23-14-8-13(16(19,20)21)24-15(25-14)12-3-1-2-4-22-12/h1-8H,(H,23,24,25)
InChIKeyYIBURHHWUDXFSU-UHFFFAOYSA-N
XLogP5.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 2730488) is N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YIBURHHWUDXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4/c17-9-5-10(18)7-11(6-9)23-14-8-13(16(19,20)21)24-15(25-14)12-3-1-2-4-22-12/h1-8H,(H,23,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 385.18 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 2730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).