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

C13H17ClF3N3O — CID 106768492

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2cc(Cl)nc(C(F)(F)F)n2)CC(C)(C)O1
InChIInChI=1S/C13H17ClF3N3O/c1-11(2)6-20(7-12(3,4)21-11)9-5-8(14)18-10(19-9)13(15,16)17/h5H,6-7H2,1-4H3
InChIKeyJBEXTOPFWXRLQC-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.54
Rot. Bonds1

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

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine (PubChem CID 106768492) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
PubChem CID106768492
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2cc(Cl)nc(C(F)(F)F)n2)CC(C)(C)O1
InChIInChI=1S/C13H17ClF3N3O/c1-11(2)6-20(7-12(3,4)21-11)9-5-8(14)18-10(19-9)13(15,16)17/h5H,6-7H2,1-4H3
InChIKeyJBEXTOPFWXRLQC-UHFFFAOYSA-N
XLogP3.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745055
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 106768016
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one
CID 106767804
2-(trifluoromethyl)-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 106771626
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767336
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 106768259
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
CID 176666930

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine (CID 106768492) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine is CC1(C)CN(c2cc(Cl)nc(C(F)(F)F)n2)CC(C)(C)O1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is JBEXTOPFWXRLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-11(2)6-20(7-12(3,4)21-11)9-5-8(14)18-10(19-9)13(15,16)17/h5H,6-7H2,1-4H3.
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 323.75 g/mol, XLogP of 3.54, 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]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 106768492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).