4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine

C19H15F3N2O3 — CID 67655760

IUPAC4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c1-25-14-7-8-15(27-16-9-10-23-12-24-16)18(17(14)19(20,21)22)26-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyYQNJPJCZPOHPLM-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.88
Rot. Bonds6

About 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine

4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 67655760) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID67655760
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c1-25-14-7-8-15(27-16-9-10-23-12-24-16)18(17(14)19(20,21)22)26-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyYQNJPJCZPOHPLM-UHFFFAOYSA-N
XLogP4.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Ethoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 10365962
5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine
CID 10937436
5-(3-Propoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 10434110
5-(3-Methoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 11026309
5-(3-Butoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 11091885
5-[[3,5-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 12752273
5-(4-(3,4,5-Trimethoxybenzyloxy)benzyl)pyrimidine-2,4-diamine
CID 11732019
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine
CID 44341646
5-[[3,5-Dimethoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 44532699
5-[[3,4-Dimethoxy-5-(3-phenoxypropoxy)phenyl]methyl]-2,4-pyrimidinediamine
CID 44531595
5-[[3,5-Dimethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 134148448
5-(2-Isopropyl-4-methoxy-5-(trifluoromethoxy)phenoxy)pyrimidine-2,4-diamine
CID 59598737

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine (CID 67655760) is 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine is COc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F.
What is the InChIKey of 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is YQNJPJCZPOHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-25-14-7-8-15(27-16-9-10-23-12-24-16)18(17(14)19(20,21)22)26-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 376.33 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 67655760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).