2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C11H6Cl2F3N3O — CID 58626080

IUPAC2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H6Cl2F3N3O/c12-8-5-9(19-10(13)18-8)17-6-1-3-7(4-2-6)20-11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyMPPJGWJXIMGJFM-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.43
Rot. Bonds3

About 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 58626080) has the molecular formula C11H6Cl2F3N3O and a molecular weight of 324.09 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID58626080
Molecular FormulaC11H6Cl2F3N3O
Molecular Weight324.09 g/mol
Exact Mass322.98
IUPAC Name2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H6Cl2F3N3O/c12-8-5-9(19-10(13)18-8)17-6-1-3-7(4-2-6)20-11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyMPPJGWJXIMGJFM-UHFFFAOYSA-N
XLogP4.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 58626080) is 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is MPPJGWJXIMGJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O/c12-8-5-9(19-10(13)18-8)17-6-1-3-7(4-2-6)20-11(14,15)16/h1-5H,(H,17,18,19).
What are the key properties of 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 324.09 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 58626080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).