5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine

C21H18F3N3O2 — CID 118443825

IUPAC5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine
SMILESCOC(c1cncnc1)(c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1)C1CC1
InChIInChI=1S/C21H18F3N3O2/c1-28-20(16-5-6-16,17-11-25-13-26-12-17)19-9-4-15(10-27-19)14-2-7-18(8-3-14)29-21(22,23)24/h2-4,7-13,16H,5-6H2,1H3
InChIKeyPOWSLPNPBNRHLR-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.74
Rot. Bonds6

About 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine

5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine (PubChem CID 118443825) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine.

Molecular Properties

Compound Name5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine
PubChem CID118443825
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine
SMILESCOC(c1cncnc1)(c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1)C1CC1
InChIInChI=1S/C21H18F3N3O2/c1-28-20(16-5-6-16,17-11-25-13-26-12-17)19-9-4-15(10-27-19)14-2-7-18(8-3-14)29-21(22,23)24/h2-4,7-13,16H,5-6H2,1H3
InChIKeyPOWSLPNPBNRHLR-UHFFFAOYSA-N
XLogP4.74
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]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-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine
CID 118443865
2-cyclopropyl-2-pyrimidin-5-yl-2-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]ethanol
CID 118455075
1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443746
1-[5-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-pyrimidin-5-ylbut-2-yn-1-ol
CID 118431490
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one
CID 118431522
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
5-[1-[5-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-prop-2-ynoxyethyl]pyrimidine
CID 118443856
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine?
The IUPAC name of 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine (CID 118443825) is 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine.
What is the SMILES notation for 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine?
The canonical SMILES for 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine is COC(c1cncnc1)(c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1)C1CC1.
What is the InChIKey of 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine?
The InChIKey is POWSLPNPBNRHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-28-20(16-5-6-16,17-11-25-13-26-12-17)19-9-4-15(10-27-19)14-2-7-18(8-3-14)29-21(22,23)24/h2-4,7-13,16H,5-6H2,1H3.
What are the key properties of 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine?
5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine has a molecular weight of 401.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine is sourced from PubChem (CID 118443825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).