2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C11H6Cl2F3N3 — CID 79632372

IUPAC2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H6Cl2F3N3/c12-7-5-17-10(13)19-9(7)18-8-4-2-1-3-6(8)11(14,15)16/h1-5H,(H,17,18,19)
InChIKeySKLWXONCHDKFLJ-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.55
Rot. Bonds2

About 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 79632372) has the molecular formula C11H6Cl2F3N3 and a molecular weight of 308.09 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID79632372
Molecular FormulaC11H6Cl2F3N3
Molecular Weight308.09 g/mol
Exact Mass306.99
IUPAC Name2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H6Cl2F3N3/c12-7-5-17-10(13)19-9(7)18-8-4-2-1-3-6(8)11(14,15)16/h1-5H,(H,17,18,19)
InChIKeySKLWXONCHDKFLJ-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79632925
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]carbamic acid
CID 90330798
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 170547346
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 79632372) is 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is SKLWXONCHDKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3/c12-7-5-17-10(13)19-9(7)18-8-4-2-1-3-6(8)11(14,15)16/h1-5H,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 308.09 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 79632372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).