N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3O2 — CID 1483205

IUPACN-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccc(OC)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O2/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)22-10-6-4-9(21-2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeySWFOZZQXXOWHAW-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.73
Rot. Bonds5

About N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483205) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483205
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2ccc(OC)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O2/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)22-10-6-4-9(21-2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeySWFOZZQXXOWHAW-UHFFFAOYSA-N
XLogP3.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
CID 697240
N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 697244
(4,6-Dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide
CID 750969
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-(4-Methyl-6-phenoxypyrimidin-2-yl)morpholine
CID 921200
4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483213
4-(2,4-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483227
4-{[2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1483231
4-(4-chlorophenoxy)-N-isopropyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483251
N-[4-(2,3-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483205) is N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Oc2ccc(OC)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SWFOZZQXXOWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)22-10-6-4-9(21-2)5-7-10/h4-8H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).