6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C14H10F3N5O — CID 11347791

IUPAC6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)21-12-7-13(20-8-19-12)22-6-5-18-9-22/h1-9H,(H,19,20,21)
InChIKeyGNFYFIBMOWINMR-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.30
Rot. Bonds4

About 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 11347791) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID11347791
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)21-12-7-13(20-8-19-12)22-6-5-18-9-22/h1-9H,(H,19,20,21)
InChIKeyGNFYFIBMOWINMR-UHFFFAOYSA-N
XLogP3.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 11347791) is 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is GNFYFIBMOWINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)21-12-7-13(20-8-19-12)22-6-5-18-9-22/h1-9H,(H,19,20,21).
What are the key properties of 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 321.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11347791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).