8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol

C21H14F3N3O — CID 11951911

IUPAC8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol
SMILESOc1ccc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)15-7-4-14(5-8-15)19-11-20(26-12-25-19)27-18-3-1-2-13-6-9-16(28)10-17(13)18/h1-12,28H,(H,25,26,27)
InChIKeyHXKPZQRDFRBMGH-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.76
Rot. Bonds3

About 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol

8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol (PubChem CID 11951911) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol.

Molecular Properties

Compound Name8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol
PubChem CID11951911
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol
SMILESOc1ccc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)15-7-4-14(5-8-15)19-11-20(26-12-25-19)27-18-3-1-2-13-6-9-16(28)10-17(13)18/h1-12,28H,(H,25,26,27)
InChIKeyHXKPZQRDFRBMGH-UHFFFAOYSA-N
XLogP5.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol?
The IUPAC name of 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol (CID 11951911) is 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol.
What is the SMILES notation for 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol?
The canonical SMILES for 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol is Oc1ccc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2c1.
What is the InChIKey of 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol?
The InChIKey is HXKPZQRDFRBMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)15-7-4-14(5-8-15)19-11-20(26-12-25-19)27-18-3-1-2-13-6-9-16(28)10-17(13)18/h1-12,28H,(H,25,26,27).
What are the key properties of 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol?
8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol has a molecular weight of 381.36 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol is sourced from PubChem (CID 11951911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).