4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine

C9H11F3N4O — CID 83398233

IUPAC4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-5-7(15-8(13)14-6)16-1-3-17-4-2-16/h5H,1-4H2,(H2,13,14,15)
InChIKeyUCTIAFHBWPSGKS-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.91
Rot. Bonds1

About 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine

4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 83398233) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID83398233
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-5-7(15-8(13)14-6)16-1-3-17-4-2-16/h5H,1-4H2,(H2,13,14,15)
InChIKeyUCTIAFHBWPSGKS-UHFFFAOYSA-N
XLogP0.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 83398233) is 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UCTIAFHBWPSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)6-5-7(15-8(13)14-6)16-1-3-17-4-2-16/h5H,1-4H2,(H2,13,14,15).
What are the key properties of 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 248.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 83398233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).