2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine

C14H19F3N2O3 — CID 176953473

IUPAC2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine
SMILESCCCOCC1CCC(Oc2nccc(C(F)(F)F)n2)CO1
InChIInChI=1S/C14H19F3N2O3/c1-2-7-20-8-10-3-4-11(9-21-10)22-13-18-6-5-12(19-13)14(15,16)17/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyGKQWIGIEDOMFSG-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.85
Rot. Bonds6

About 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine

2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine (PubChem CID 176953473) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine
PubChem CID176953473
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine
SMILESCCCOCC1CCC(Oc2nccc(C(F)(F)F)n2)CO1
InChIInChI=1S/C14H19F3N2O3/c1-2-7-20-8-10-3-4-11(9-21-10)22-13-18-6-5-12(19-13)14(15,16)17/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyGKQWIGIEDOMFSG-UHFFFAOYSA-N
XLogP2.85
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)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

2-Propan-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 17818253
2-(4,4-Dimethylpentoxy)-4-(trifluoromethyl)pyrimidine
CID 59026288
2-Pentoxy-4-(trifluoromethyl)pyrimidine
CID 70883374
2-Propoxy-4-(trifluoromethyl)pyrimidine
CID 139755975
4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine
CID 166817904
2-[[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-6-propa-1,2-dienyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-4-(trifluoromethyl)pyrimidine
CID 171556736
2-Methyl-4-(trifluoromethyl)pyrimidine;2-propan-2-yloxane-3,4-diol
CID 171556854
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyoxane-3,4-diol
CID 171557206
6-Amino-2-(hydroxymethyl)oxane-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
CID 171557608
Ethane;6-ethyloxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] thiohypofluorite
CID 171557611
(2R,3R,4S,5S)-2-propan-2-yl-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyoxane-3,4-diol
CID 171558163
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-4-(trifluoromethyl)pyrimidine
CID 171558677

Frequently Asked Questions

What is the IUPAC name of 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine (CID 176953473) is 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine is CCCOCC1CCC(Oc2nccc(C(F)(F)F)n2)CO1.
What is the InChIKey of 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is GKQWIGIEDOMFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-2-7-20-8-10-3-4-11(9-21-10)22-13-18-6-5-12(19-13)14(15,16)17/h5-6,10-11H,2-4,7-9H2,1H3.
What are the key properties of 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine?
2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 320.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(propoxymethyl)oxan-3-yl]oxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 176953473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).