N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

C11H15F3N4O — CID 95528039

IUPACN,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(N2CCO[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4O/c1-7-5-9(15-2)17-10(16-7)18-3-4-19-8(6-18)11(12,13)14/h5,8H,3-4,6H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyQIJKHFDJCZPYOQ-QMMMGPOBSA-N
MW276.26 g/mol
LogP1.59
Rot. Bonds2

About N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 95528039) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID95528039
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(N2CCO[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4O/c1-7-5-9(15-2)17-10(16-7)18-3-4-19-8(6-18)11(12,13)14/h5,8H,3-4,6H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyQIJKHFDJCZPYOQ-QMMMGPOBSA-N
XLogP1.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (CID 95528039) is N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is CNc1cc(C)nc(N2CCO[C@H](C(F)(F)F)C2)n1.
What is the InChIKey of N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is QIJKHFDJCZPYOQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7-5-9(15-2)17-10(16-7)18-3-4-19-8(6-18)11(12,13)14/h5,8H,3-4,6H2,1-2H3,(H,15,16,17)/t8-/m0/s1.
What are the key properties of N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine has a molecular weight of 276.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 95528039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).