4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine

C19H15F4N3O2 — CID 11246357

IUPAC4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Oc3ccc(F)c(C(F)(F)F)c3)c2N)c(C)c1
InChIInChI=1S/C19H15F4N3O2/c1-10-3-6-15(11(2)7-10)28-18-16(24)17(25-9-26-18)27-12-4-5-14(20)13(8-12)19(21,22)23/h3-9H,24H2,1-2H3
InChIKeySZVCOXZJTSYURH-UHFFFAOYSA-N
MW393.34 g/mol
LogP5.42
Rot. Bonds4

About 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine

4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine (PubChem CID 11246357) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
PubChem CID11246357
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC Name4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Oc3ccc(F)c(C(F)(F)F)c3)c2N)c(C)c1
InChIInChI=1S/C19H15F4N3O2/c1-10-3-6-15(11(2)7-10)28-18-16(24)17(25-9-26-18)27-12-4-5-14(20)13(8-12)19(21,22)23/h3-9H,24H2,1-2H3
InChIKeySZVCOXZJTSYURH-UHFFFAOYSA-N
XLogP5.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.34
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-N,N-dimethylpyrimidin-5-amine
CID 139845121
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-2-(furan-2-yl)pyrimidin-5-amine
CID 24891223
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine (CID 11246357) is 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine is Cc1ccc(Oc2ncnc(Oc3ccc(F)c(C(F)(F)F)c3)c2N)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
The InChIKey is SZVCOXZJTSYURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c1-10-3-6-15(11(2)7-10)28-18-16(24)17(25-9-26-18)27-12-4-5-14(20)13(8-12)19(21,22)23/h3-9H,24H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine has a molecular weight of 393.34 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine is sourced from PubChem (CID 11246357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).