4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine

C13H11F3N2O2 — CID 2745832

IUPAC4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine
SMILESCOc1nc(C(F)(F)F)nc(C)c1Oc1ccccc1
InChIInChI=1S/C13H11F3N2O2/c1-8-10(20-9-6-4-3-5-7-9)11(19-2)18-12(17-8)13(14,15)16/h3-7H,1-2H3
InChIKeyNSZPIWVHCJEYQE-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.60
Rot. Bonds3

About 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine

4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine (PubChem CID 2745832) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine
PubChem CID2745832
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine
SMILESCOc1nc(C(F)(F)F)nc(C)c1Oc1ccccc1
InChIInChI=1S/C13H11F3N2O2/c1-8-10(20-9-6-4-3-5-7-9)11(19-2)18-12(17-8)13(14,15)16/h3-7H,1-2H3
InChIKeyNSZPIWVHCJEYQE-UHFFFAOYSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine (CID 2745832) is 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine is COc1nc(C(F)(F)F)nc(C)c1Oc1ccccc1.
What is the InChIKey of 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is NSZPIWVHCJEYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-8-10(20-9-6-4-3-5-7-9)11(19-2)18-12(17-8)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine?
4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 284.24 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2745832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).