4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one

C21H26FN5O3 — CID 154566236

IUPAC4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
SMILESCc1nc(N)cc(N2CCC(N3CC(COc4ccc(F)cc4)OCC3=O)CC2)n1
InChIInChI=1S/C21H26FN5O3/c1-14-24-19(23)10-20(25-14)26-8-6-16(7-9-26)27-11-18(30-13-21(27)28)12-29-17-4-2-15(22)3-5-17/h2-5,10,16,18H,6-9,11-13H2,1H3,(H2,23,24,25)
InChIKeyLDFHWVUTBJERAR-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.78
Rot. Bonds5

About 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one

4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (PubChem CID 154566236) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
PubChem CID154566236
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC Name4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
SMILESCc1nc(N)cc(N2CCC(N3CC(COc4ccc(F)cc4)OCC3=O)CC2)n1
InChIInChI=1S/C21H26FN5O3/c1-14-24-19(23)10-20(25-14)26-8-6-16(7-9-26)27-11-18(30-13-21(27)28)12-29-17-4-2-15(22)3-5-17/h2-5,10,16,18H,6-9,11-13H2,1H3,(H2,23,24,25)
InChIKeyLDFHWVUTBJERAR-UHFFFAOYSA-N
XLogP1.78
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The IUPAC name of 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one (CID 154566236) is 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one.
What is the SMILES notation for 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The canonical SMILES for 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is Cc1nc(N)cc(N2CCC(N3CC(COc4ccc(F)cc4)OCC3=O)CC2)n1.
What is the InChIKey of 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
The InChIKey is LDFHWVUTBJERAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-14-24-19(23)10-20(25-14)26-8-6-16(7-9-26)27-11-18(30-13-21(27)28)12-29-17-4-2-15(22)3-5-17/h2-5,10,16,18H,6-9,11-13H2,1H3,(H2,23,24,25).
What are the key properties of 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one?
4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one has a molecular weight of 415.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one is sourced from PubChem (CID 154566236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).