4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

C14H13F3N2O2 — CID 138756400

IUPAC4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCOC(OC)c1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H13F3N2O2/c1-20-13(21-2)10-8-11(14(15,16)17)19-12(18-10)9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyOJVHEXOYMKQLJN-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.45
Rot. Bonds4

About 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 138756400) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID138756400
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCOC(OC)c1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H13F3N2O2/c1-20-13(21-2)10-8-11(14(15,16)17)19-12(18-10)9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyOJVHEXOYMKQLJN-UHFFFAOYSA-N
XLogP3.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 138756400) is 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is COC(OC)c1cc(C(F)(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is OJVHEXOYMKQLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-20-13(21-2)10-8-11(14(15,16)17)19-12(18-10)9-6-4-3-5-7-9/h3-8,13H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 298.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 138756400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).