4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C18H11F6N3O3 — CID 86267865

IUPAC4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccc(Oc2ccnc(Nc3ccccc3OC(F)(F)F)n2)cc1
InChIInChI=1S/C18H11F6N3O3/c19-17(20,21)29-12-7-5-11(6-8-12)28-15-9-10-25-16(27-15)26-13-3-1-2-4-14(13)30-18(22,23)24/h1-10H,(H,25,26,27)
InChIKeyOAUQGCUDGQQWJA-UHFFFAOYSA-N
MW431.29 g/mol
LogP5.81
Rot. Bonds6

About 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine

4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 86267865) has the molecular formula C18H11F6N3O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID86267865
Molecular FormulaC18H11F6N3O3
Molecular Weight431.29 g/mol
Exact Mass431.07
IUPAC Name4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccc(Oc2ccnc(Nc3ccccc3OC(F)(F)F)n2)cc1
InChIInChI=1S/C18H11F6N3O3/c19-17(20,21)29-12-7-5-11(6-8-12)28-15-9-10-25-16(27-15)26-13-3-1-2-4-14(13)30-18(22,23)24/h1-10H,(H,25,26,27)
InChIKeyOAUQGCUDGQQWJA-UHFFFAOYSA-N
XLogP5.81
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-(3-(Dimethylamino)phenoxy)pyrimidin-2-ylamino)phenol
CID 46835756
Bisanilinopyrimidine, 6f
CID 70702137
4-(2,5-Dimethoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9969752
4-(2,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-(trifluoromethyl)pyrimidine
CID 10134174
4-(2,5-Dimethoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10156358
5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 71462440
2-N-[4-(4-fluorophenoxy)phenyl]pyrimidine-2,4-diamine
CID 70683165
2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrimidine-2,4-diamine
CID 70691560
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865697
N4-(2,5-Dimethoxyphenyl)-N6-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866175
N-[2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 134129887
1-(4-Pyrimidin-4-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 164611394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 86267865) is 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine is FC(F)(F)Oc1ccc(Oc2ccnc(Nc3ccccc3OC(F)(F)F)n2)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is OAUQGCUDGQQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O3/c19-17(20,21)29-12-7-5-11(6-8-12)28-15-9-10-25-16(27-15)26-13-3-1-2-4-14(13)30-18(22,23)24/h1-10H,(H,25,26,27).
What are the key properties of 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 431.29 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenoxy]-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 86267865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).