2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine

C19H14F4N2O — CID 118164419

IUPAC2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine
SMILESCc1ccc(OCc2ncccn2)cc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C19H14F4N2O/c1-12-3-5-14(26-11-18-24-7-2-8-25-18)10-16(12)15-6-4-13(9-17(15)20)19(21,22)23/h2-10H,11H2,1H3
InChIKeyZWJJFIMHILTCHR-UHFFFAOYSA-N
MW362.33 g/mol
LogP5.19
Rot. Bonds4

About 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine

2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine (PubChem CID 118164419) has the molecular formula C19H14F4N2O and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine
PubChem CID118164419
Molecular FormulaC19H14F4N2O
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Name2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine
SMILESCc1ccc(OCc2ncccn2)cc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C19H14F4N2O/c1-12-3-5-14(26-11-18-24-7-2-8-25-18)10-16(12)15-6-4-13(9-17(15)20)19(21,22)23/h2-10H,11H2,1H3
InChIKeyZWJJFIMHILTCHR-UHFFFAOYSA-N
XLogP5.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.33
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]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

N,N-diethyl-2-[4-[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]ethynyl]phenoxy]ethanamine
CID 10408758
5-(4-(Pentyloxy)phenyl)-2-(4-pentylphenyl)pyrimidine
CID 36985
Pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56653029
US9714221, Example 84
CID 130232795
US11149031, Example 246
CID 134520990
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(2''-pyrimidil)piperazine
CID 25156412
2-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine
CID 90655456
5-[5-(4-Fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 57329438
(5S)-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 155344377
(5R)-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 155344409
5-(8-Methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 16119569
5-(6-Methoxy-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 16119570

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine (CID 118164419) is 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine is Cc1ccc(OCc2ncccn2)cc1-c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine?
The InChIKey is ZWJJFIMHILTCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O/c1-12-3-5-14(26-11-18-24-7-2-8-25-18)10-16(12)15-6-4-13(9-17(15)20)19(21,22)23/h2-10H,11H2,1H3.
What are the key properties of 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine?
2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine has a molecular weight of 362.33 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylphenoxy]methyl]pyrimidine is sourced from PubChem (CID 118164419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).