N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine

C20H17F4N3O — CID 141138716

IUPACN-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(C(F)(F)F)cc2F)cc(-c2ccccc2)n1
InChIInChI=1S/C20H17F4N3O/c1-28-19-26-17(14-5-3-2-4-6-14)12-18(27-19)25-10-9-13-7-8-15(11-16(13)21)20(22,23)24/h2-8,11-12H,9-10H2,1H3,(H,25,26,27)
InChIKeyFIJMHJKFMPPWNG-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.96
Rot. Bonds6

About N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine

N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine (PubChem CID 141138716) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
PubChem CID141138716
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC NameN-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
SMILESCOc1nc(NCCc2ccc(C(F)(F)F)cc2F)cc(-c2ccccc2)n1
InChIInChI=1S/C20H17F4N3O/c1-28-19-26-17(14-5-3-2-4-6-14)12-18(27-19)25-10-9-13-7-8-15(11-16(13)21)20(22,23)24/h2-8,11-12H,9-10H2,1H3,(H,25,26,27)
InChIKeyFIJMHJKFMPPWNG-UHFFFAOYSA-N
XLogP4.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine (CID 141138716) is N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine is COc1nc(NCCc2ccc(C(F)(F)F)cc2F)cc(-c2ccccc2)n1.
What is the InChIKey of N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine?
The InChIKey is FIJMHJKFMPPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-28-19-26-17(14-5-3-2-4-6-14)12-18(27-19)25-10-9-13-7-8-15(11-16(13)21)20(22,23)24/h2-8,11-12H,9-10H2,1H3,(H,25,26,27).
What are the key properties of N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine?
N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine has a molecular weight of 391.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 141138716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).