4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane

C16H25F2N3O — CID 144739971

IUPAC4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane
SMILESCC.CCc1cc(N2CCOCC2)nc(C2C(C)C2(F)F)n1
InChIInChI=1S/C14H19F2N3O.C2H6/c1-3-10-8-11(19-4-6-20-7-5-19)18-13(17-10)12-9(2)14(12,15)16;1-2/h8-9,12H,3-7H2,1-2H3;1-2H3
InChIKeyRMTFAEQGHMYCOA-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.27
Rot. Bonds3

About 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane

4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane (PubChem CID 144739971) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane.

Molecular Properties

Compound Name4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane
PubChem CID144739971
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane
SMILESCC.CCc1cc(N2CCOCC2)nc(C2C(C)C2(F)F)n1
InChIInChI=1S/C14H19F2N3O.C2H6/c1-3-10-8-11(19-4-6-20-7-5-19)18-13(17-10)12-9(2)14(12,15)16;1-2/h8-9,12H,3-7H2,1-2H3;1-2H3
InChIKeyRMTFAEQGHMYCOA-UHFFFAOYSA-N
XLogP3.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane with MolForge

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Related Compounds

4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 46960602
1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95799250
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799249
4-(aminomethyl)-N-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 58106207
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
4-(6-ethylpyridazin-3-yl)morpholine
CID 118486685
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
2-cyclopropyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80955847
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine
CID 59292396

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane?
The IUPAC name of 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane (CID 144739971) is 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane.
What is the SMILES notation for 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane?
The canonical SMILES for 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane is CC.CCc1cc(N2CCOCC2)nc(C2C(C)C2(F)F)n1.
What is the InChIKey of 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane?
The InChIKey is RMTFAEQGHMYCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O.C2H6/c1-3-10-8-11(19-4-6-20-7-5-19)18-13(17-10)12-9(2)14(12,15)16;1-2/h8-9,12H,3-7H2,1-2H3;1-2H3.
What are the key properties of 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane?
4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane has a molecular weight of 313.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane is sourced from PubChem (CID 144739971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).