4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine

C16H14F4N2O2 — CID 153043969

IUPAC4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine
SMILESFc1cnc(OCc2ccc(OC(F)(F)F)cc2)nc1CC1CC1
InChIInChI=1S/C16H14F4N2O2/c17-13-8-21-15(22-14(13)7-10-1-2-10)23-9-11-3-5-12(6-4-11)24-16(18,19)20/h3-6,8,10H,1-2,7,9H2
InChIKeyVGFVJZGXSMUESE-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.05
Rot. Bonds6

About 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine

4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine (PubChem CID 153043969) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine
PubChem CID153043969
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine
SMILESFc1cnc(OCc2ccc(OC(F)(F)F)cc2)nc1CC1CC1
InChIInChI=1S/C16H14F4N2O2/c17-13-8-21-15(22-14(13)7-10-1-2-10)23-9-11-3-5-12(6-4-11)24-16(18,19)20/h3-6,8,10H,1-2,7,9H2
InChIKeyVGFVJZGXSMUESE-UHFFFAOYSA-N
XLogP4.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine?
The IUPAC name of 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine (CID 153043969) is 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine is Fc1cnc(OCc2ccc(OC(F)(F)F)cc2)nc1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine?
The InChIKey is VGFVJZGXSMUESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-13-8-21-15(22-14(13)7-10-1-2-10)23-9-11-3-5-12(6-4-11)24-16(18,19)20/h3-6,8,10H,1-2,7,9H2.
What are the key properties of 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine?
4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine has a molecular weight of 342.29 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine is sourced from PubChem (CID 153043969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).