4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine

C11H8F3N3O — CID 79917598

IUPAC4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
SMILESNc1cncnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)18-10-9(15)5-16-6-17-10/h1-6H,15H2
InChIKeyQIKSPZXMXLSYOJ-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine

4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine (PubChem CID 79917598) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
PubChem CID79917598
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
SMILESNc1cncnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)18-10-9(15)5-16-6-17-10/h1-6H,15H2
InChIKeyQIKSPZXMXLSYOJ-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-aminopyrimidin-4-yl)oxyphenyl]acetonitrile
CID 79916294
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-5-amine
CID 79916312
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
4-(2-fluorophenoxy)pyrimidin-5-amine
CID 79917585
4-(5-aminopyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115467627
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 155969730
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
4-[4-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228729

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine (CID 79917598) is 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine is Nc1cncnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
The InChIKey is QIKSPZXMXLSYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)18-10-9(15)5-16-6-17-10/h1-6H,15H2.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine?
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine is sourced from PubChem (CID 79917598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).