4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C11H15F3N4O — CID 114564346

IUPAC4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)COCCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H15F3N4O/c1-10(2)6-19-4-3-18(10)8-5-7(11(12,13)14)16-9(15)17-8/h5H,3-4,6H2,1-2H3,(H2,15,16,17)
InChIKeyDJSRYMPOXCMNLY-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds1

About 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114564346) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114564346
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)COCCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H15F3N4O/c1-10(2)6-19-4-3-18(10)8-5-7(11(12,13)14)16-9(15)17-8/h5H,3-4,6H2,1-2H3,(H2,15,16,17)
InChIKeyDJSRYMPOXCMNLY-UHFFFAOYSA-N
XLogP1.69
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,3-dimethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771089
4-(3-ethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564205
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
4-(4-methyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563797
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
[2-(3,3-dimethylmorpholin-4-yl)-6-methyl-4-pyridinyl]methanol
CID 113378735
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
4-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-2-amine
CID 80796377
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 102887762
4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine
CID 175762310
6-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80796158

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114564346) is 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CC1(C)COCCN1c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DJSRYMPOXCMNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-10(2)6-19-4-3-18(10)8-5-7(11(12,13)14)16-9(15)17-8/h5H,3-4,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 276.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114564346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).