4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine

C9H9ClF3N3O — CID 46738256

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C9H9ClF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKeyCBYBNUMRYGBXOS-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.99
Rot. Bonds1

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 46738256) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID46738256
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C9H9ClF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2
InChIKeyCBYBNUMRYGBXOS-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 46738256) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is FC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is CBYBNUMRYGBXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-6-5-7(16-1-3-17-4-2-16)15-8(14-6)9(11,12)13/h5H,1-4H2.
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 267.64 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46738256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).