4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H19F3N4O — CID 114564122

IUPAC4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CC(C)OCC2C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-4-17-12-18-10(13(14,15)16)5-11(19-12)20-6-9(3)21-7-8(20)2/h5,8-9H,4,6-7H2,1-3H3,(H,17,18,19)
InChIKeyAVLLEGRRPBGVGS-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.54
Rot. Bonds3

About 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114564122) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114564122
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CC(C)OCC2C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-4-17-12-18-10(13(14,15)16)5-11(19-12)20-6-9(3)21-7-8(20)2/h5,8-9H,4,6-7H2,1-3H3,(H,17,18,19)
InChIKeyAVLLEGRRPBGVGS-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567020
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylmorpholine
CID 102715513
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propylpyrimidin-4-amine
CID 80954718
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80967249
6-(2,5-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102717555
N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565946
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565345
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564198
4-(2,5-dimethylmorpholin-4-yl)-N-ethylquinazolin-2-amine
CID 80775981
N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566044
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114564122) is 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(N2CC(C)OCC2C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AVLLEGRRPBGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-4-17-12-18-10(13(14,15)16)5-11(19-12)20-6-9(3)21-7-8(20)2/h5,8-9H,4,6-7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114564122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).