N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine

C9H11F3N4O — CID 83026552

IUPACN-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine
SMILESFC(F)(F)c1ccnc(NN2CCOCC2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)7-1-2-13-8(14-7)15-16-3-5-17-6-4-16/h1-2H,3-6H2,(H,13,14,15)
InChIKeyYPWPHSOQTVNGLX-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.15
Rot. Bonds2

About N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine

N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine (PubChem CID 83026552) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine
PubChem CID83026552
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine
SMILESFC(F)(F)c1ccnc(NN2CCOCC2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)7-1-2-13-8(14-7)15-16-3-5-17-6-4-16/h1-2H,3-6H2,(H,13,14,15)
InChIKeyYPWPHSOQTVNGLX-UHFFFAOYSA-N
XLogP1.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine (CID 83026552) is N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine is FC(F)(F)c1ccnc(NN2CCOCC2)n1.
What is the InChIKey of N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine?
The InChIKey is YPWPHSOQTVNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)7-1-2-13-8(14-7)15-16-3-5-17-6-4-16/h1-2H,3-6H2,(H,13,14,15).
What are the key properties of N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine?
N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine has a molecular weight of 248.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine is sourced from PubChem (CID 83026552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).