4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine

C16H11F3N2O2 — CID 5152635

IUPAC4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H11F3N2O2/c1-22-14-9-13(16(17,18)19)20-15(21-14)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeyHDNXSTKHFSEYFO-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.45
Rot. Bonds3

About 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine

4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine (PubChem CID 5152635) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine
PubChem CID5152635
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H11F3N2O2/c1-22-14-9-13(16(17,18)19)20-15(21-14)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeyHDNXSTKHFSEYFO-UHFFFAOYSA-N
XLogP4.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine (CID 5152635) is 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is HDNXSTKHFSEYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-22-14-9-13(16(17,18)19)20-15(21-14)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3.
What are the key properties of 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine?
4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 320.27 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-naphthalen-2-yloxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 5152635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).