(2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone

C15H18F3N3O2 — CID 146125863

IUPAC(2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccnc(C3CC3)n2)CC(C(F)(F)F)O1
InChIInChI=1S/C15H18F3N3O2/c1-14(2)8-21(7-11(23-14)15(16,17)18)13(22)10-5-6-19-12(20-10)9-3-4-9/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyOPNANMFKNFTMPQ-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.54
Rot. Bonds2

About (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 146125863) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID146125863
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccnc(C3CC3)n2)CC(C(F)(F)F)O1
InChIInChI=1S/C15H18F3N3O2/c1-14(2)8-21(7-11(23-14)15(16,17)18)13(22)10-5-6-19-12(20-10)9-3-4-9/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyOPNANMFKNFTMPQ-UHFFFAOYSA-N
XLogP2.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone (CID 146125863) is (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone is CC1(C)CN(C(=O)c2ccnc(C3CC3)n2)CC(C(F)(F)F)O1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is OPNANMFKNFTMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-14(2)8-21(7-11(23-14)15(16,17)18)13(22)10-5-6-19-12(20-10)9-3-4-9/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 329.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 146125863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).