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

C16H17F2N3O2 — CID 95923309

IUPAC4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(OCc2ccc(F)c(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-11-8-15(20-16(19-11)21-4-6-22-7-5-21)23-10-12-2-3-13(17)14(18)9-12/h2-3,8-9H,4-7,10H2,1H3
InChIKeyRBRKWBULKQPVGC-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.48
Rot. Bonds4

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

4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine (PubChem CID 95923309) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
PubChem CID95923309
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(OCc2ccc(F)c(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-11-8-15(20-16(19-11)21-4-6-22-7-5-21)23-10-12-2-3-13(17)14(18)9-12/h2-3,8-9H,4-7,10H2,1H3
InChIKeyRBRKWBULKQPVGC-UHFFFAOYSA-N
XLogP2.48
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930
4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 95922877
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 95922752
4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
CID 75358366
2-[4-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 95922685
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
3-(3-fluorophenyl)-5-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxymethyl]-1,2,4-oxadiazole
CID 95922826
2-(3,4-difluorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11574057
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316237
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine (CID 95923309) is 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine is Cc1cc(OCc2ccc(F)c(F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is RBRKWBULKQPVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-11-8-15(20-16(19-11)21-4-6-22-7-5-21)23-10-12-2-3-13(17)14(18)9-12/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine?
4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 321.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 95923309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).