N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C18H12F5N3O — CID 71086632

IUPACN-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESFc1cccc(F)c1CNc1ncc(Oc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C18H12F5N3O/c19-14-5-3-6-15(20)12(14)10-26-17-24-8-11(9-25-17)27-16-7-2-1-4-13(16)18(21,22)23/h1-9H,10H2,(H,24,25,26)
InChIKeyJZNFJBJFKXHYMF-UHFFFAOYSA-N
MW381.30 g/mol
LogP5.18
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 71086632) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID71086632
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESFc1cccc(F)c1CNc1ncc(Oc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C18H12F5N3O/c19-14-5-3-6-15(20)12(14)10-26-17-24-8-11(9-25-17)27-16-7-2-1-4-13(16)18(21,22)23/h1-9H,10H2,(H,24,25,26)
InChIKeyJZNFJBJFKXHYMF-UHFFFAOYSA-N
XLogP5.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 71086632) is N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is Fc1cccc(F)c1CNc1ncc(Oc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is JZNFJBJFKXHYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c19-14-5-3-6-15(20)12(14)10-26-17-24-8-11(9-25-17)27-16-7-2-1-4-13(16)18(21,22)23/h1-9H,10H2,(H,24,25,26).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 381.30 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 71086632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).