(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

C13H14F3N3O2 — CID 95509697

IUPAC(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)10-7-19(3-4-21-10)12(20)9-5-17-11(18-6-9)8-1-2-8/h5-6,8,10H,1-4,7H2/t10-/m0/s1
InChIKeyAOPGRCZIVSWMFY-JTQLQIEISA-N
MW301.27 g/mol
LogP1.76
Rot. Bonds2

About (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95509697) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95509697
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)10-7-19(3-4-21-10)12(20)9-5-17-11(18-6-9)8-1-2-8/h5-6,8,10H,1-4,7H2/t10-/m0/s1
InChIKeyAOPGRCZIVSWMFY-JTQLQIEISA-N
XLogP1.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone 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

(3-phenylimidazo[4,5-b]pyridin-6-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 176504802
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95549395
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide
CID 56880091
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
(8-hydroxyquinolin-7-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95555898
(5-propyl-1,2-oxazol-3-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 70710534

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95509697) is (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cnc(C2CC2)nc1)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is AOPGRCZIVSWMFY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)10-7-19(3-4-21-10)12(20)9-5-17-11(18-6-9)8-1-2-8/h5-6,8,10H,1-4,7H2/t10-/m0/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 301.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95509697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).