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

C11H5Cl3F3N3 — CID 79632211

IUPAC2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)ncc2Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl3F3N3/c12-6-3-5(11(15,16)17)1-2-8(6)19-9-7(13)4-18-10(14)20-9/h1-4H,(H,18,19,20)
InChIKeyCIWNKQSNZUANPM-UHFFFAOYSA-N
MW342.54 g/mol
LogP5.20
Rot. Bonds2

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

2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 79632211) has the molecular formula C11H5Cl3F3N3 and a molecular weight of 342.54 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID79632211
Molecular FormulaC11H5Cl3F3N3
Molecular Weight342.54 g/mol
Exact Mass340.95
IUPAC Name2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)ncc2Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl3F3N3/c12-6-3-5(11(15,16)17)1-2-8(6)19-9-7(13)4-18-10(14)20-9/h1-4H,(H,18,19,20)
InChIKeyCIWNKQSNZUANPM-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 79632211) is 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2nc(Cl)ncc2Cl)c(Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is CIWNKQSNZUANPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3F3N3/c12-6-3-5(11(15,16)17)1-2-8(6)19-9-7(13)4-18-10(14)20-9/h1-4H,(H,18,19,20).
What are the key properties of 2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 342.54 g/mol, XLogP of 5.20, 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-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 79632211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).