5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine

C14H13F3N2O3 — CID 66956046

IUPAC5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCCOCOc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C14H13F3N2O3/c1-2-20-9-21-12-7-18-13(19-8-12)10-3-5-11(6-4-10)22-14(15,16)17/h3-8H,2,9H2,1H3
InChIKeyXNKHRELERAZWNF-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.41
Rot. Bonds6

About 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine

5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 66956046) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID66956046
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCCOCOc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C14H13F3N2O3/c1-2-20-9-21-12-7-18-13(19-8-12)10-3-5-11(6-4-10)22-14(15,16)17/h3-8H,2,9H2,1H3
InChIKeyXNKHRELERAZWNF-UHFFFAOYSA-N
XLogP3.41
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-octyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]pyrimidine
CID 19436226
2-[4-(2-ethoxy-1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-5-ol
CID 19001143
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
5-(4-butoxybutoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 54363602
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine
CID 19891638
2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine
CID 90240743
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 66956046) is 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine is CCOCOc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is XNKHRELERAZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-2-20-9-21-12-7-18-13(19-8-12)10-3-5-11(6-4-10)22-14(15,16)17/h3-8H,2,9H2,1H3.
What are the key properties of 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 314.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 66956046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).