4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine

C17H19F2N3O — CID 71004473

IUPAC4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine
SMILESCCc1nc(-c2cc(F)cc(F)c2)nc(N2CCOCC2)c1C
InChIInChI=1S/C17H19F2N3O/c1-3-15-11(2)17(22-4-6-23-7-5-22)21-16(20-15)12-8-13(18)10-14(19)9-12/h8-10H,3-7H2,1-2H3
InChIKeyDTPLYUYFGMRXBX-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.13
Rot. Bonds3

About 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine

4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine (PubChem CID 71004473) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine
PubChem CID71004473
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine
SMILESCCc1nc(-c2cc(F)cc(F)c2)nc(N2CCOCC2)c1C
InChIInChI=1S/C17H19F2N3O/c1-3-15-11(2)17(22-4-6-23-7-5-22)21-16(20-15)12-8-13(18)10-14(19)9-12/h8-10H,3-7H2,1-2H3
InChIKeyDTPLYUYFGMRXBX-UHFFFAOYSA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine (CID 71004473) is 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine is CCc1nc(-c2cc(F)cc(F)c2)nc(N2CCOCC2)c1C.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine?
The InChIKey is DTPLYUYFGMRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-3-15-11(2)17(22-4-6-23-7-5-22)21-16(20-15)12-8-13(18)10-14(19)9-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine?
4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine has a molecular weight of 319.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)-6-ethyl-5-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 71004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).