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

C13H19F3N4O — CID 114564198

IUPAC4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CCOC(C)(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-4-17-11-18-9(13(14,15)16)7-10(19-11)20-5-6-21-12(2,3)8-20/h7H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyFDAHNZQJHFZQSX-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.54
Rot. Bonds3

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

4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114564198) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114564198
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CCOC(C)(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-4-17-11-18-9(13(14,15)16)7-10(19-11)20-5-6-21-12(2,3)8-20/h7H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyFDAHNZQJHFZQSX-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

1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565946
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325205
N-ethyl-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 163311616
4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564122
N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566044
6-(2,2-dimethylmorpholin-4-yl)-2-methylpyrimidin-4-amine
CID 80792036
4-(2,2-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747342
6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80789621
4-(2,2-dimethylpyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565002
4-(2,2-dimethylmorpholin-4-yl)-2-ethyl-1H-pyrimidin-6-one
CID 137009203
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 62282782

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114564198) is 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(N2CCOC(C)(C)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FDAHNZQJHFZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-4-17-11-18-9(13(14,15)16)7-10(19-11)20-5-6-21-12(2,3)8-20/h7H,4-6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,2-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-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114564198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).