2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine

C11H5Cl2F4N3 — CID 112694906

IUPAC2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1cc(Nc2cc(C(F)(F)F)nc(Cl)n2)ccc1Cl
InChIInChI=1S/C11H5Cl2F4N3/c12-6-2-1-5(3-7(6)14)18-9-4-8(11(15,16)17)19-10(13)20-9/h1-4H,(H,18,19,20)
InChIKeyPHWRPZJMRXQSAL-UHFFFAOYSA-N
MW326.08 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 112694906) has the molecular formula C11H5Cl2F4N3 and a molecular weight of 326.08 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID112694906
Molecular FormulaC11H5Cl2F4N3
Molecular Weight326.08 g/mol
Exact Mass324.98
IUPAC Name2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1cc(Nc2cc(C(F)(F)F)nc(Cl)n2)ccc1Cl
InChIInChI=1S/C11H5Cl2F4N3/c12-6-2-1-5(3-7(6)14)18-9-4-8(11(15,16)17)19-10(13)20-9/h1-4H,(H,18,19,20)
InChIKeyPHWRPZJMRXQSAL-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
2-chloro-N-(2,6-difluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562821
2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694892
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 112694906) is 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine is Fc1cc(Nc2cc(C(F)(F)F)nc(Cl)n2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PHWRPZJMRXQSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F4N3/c12-6-2-1-5(3-7(6)14)18-9-4-8(11(15,16)17)19-10(13)20-9/h1-4H,(H,18,19,20).
What are the key properties of 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 326.08 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 112694906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).