(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine

C17H19F2N3O2 — CID 124736073

IUPAC(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nc1C
InChIInChI=1S/C17H19F2N3O2/c1-11-9-20-17(21-12(11)2)22-6-7-23-15(10-22)13-4-3-5-14(8-13)24-16(18)19/h3-5,8-9,15-16H,6-7,10H2,1-2H3/t15-/m0/s1
InChIKeyOHLLLFHTXULEFK-HNNXBMFYSA-N
MW335.35 g/mol
LogP3.27
Rot. Bonds4

About (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine

(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine (PubChem CID 124736073) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
PubChem CID124736073
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nc1C
InChIInChI=1S/C17H19F2N3O2/c1-11-9-20-17(21-12(11)2)22-6-7-23-15(10-22)13-4-3-5-14(8-13)24-16(18)19/h3-5,8-9,15-16H,6-7,10H2,1-2H3/t15-/m0/s1
InChIKeyOHLLLFHTXULEFK-HNNXBMFYSA-N
XLogP3.27
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine?
The IUPAC name of (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine (CID 124736073) is (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine?
The canonical SMILES for (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine is Cc1cnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nc1C.
What is the InChIKey of (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine?
The InChIKey is OHLLLFHTXULEFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-9-20-17(21-12(11)2)22-6-7-23-15(10-22)13-4-3-5-14(8-13)24-16(18)19/h3-5,8-9,15-16H,6-7,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine?
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine has a molecular weight of 335.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 124736073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).