6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one

C11H13ClF3N3O2 — CID 176666613

IUPAC6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one
SMILESC[C@@H]1CN(c2nc(Cl)cc(=O)n2C)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C11H13ClF3N3O2/c1-6-4-18(5-7(20-6)11(13,14)15)10-16-8(12)3-9(19)17(10)2/h3,6-7H,4-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyRGFYDCGFXPEUBM-RQJHMYQMSA-N
MW311.69 g/mol
LogP1.59
Rot. Bonds1

About 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one

6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one (PubChem CID 176666613) has the molecular formula C11H13ClF3N3O2 and a molecular weight of 311.69 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one
PubChem CID176666613
Molecular FormulaC11H13ClF3N3O2
Molecular Weight311.69 g/mol
Exact Mass311.06
IUPAC Name6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one
SMILESC[C@@H]1CN(c2nc(Cl)cc(=O)n2C)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C11H13ClF3N3O2/c1-6-4-18(5-7(20-6)11(13,14)15)10-16-8(12)3-9(19)17(10)2/h3,6-7H,4-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyRGFYDCGFXPEUBM-RQJHMYQMSA-N
XLogP1.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one (CID 176666613) is 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one is C[C@@H]1CN(c2nc(Cl)cc(=O)n2C)C[C@@H](C(F)(F)F)O1.
What is the InChIKey of 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one?
The InChIKey is RGFYDCGFXPEUBM-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2/c1-6-4-18(5-7(20-6)11(13,14)15)10-16-8(12)3-9(19)17(10)2/h3,6-7H,4-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one?
6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one has a molecular weight of 311.69 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-one is sourced from PubChem (CID 176666613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).