1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one

C13H17ClN4O2 — CID 59507587

IUPAC1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one
SMILESO=C1CCCCN1c1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17ClN4O2/c14-10-9-11(18-4-2-1-3-12(18)19)16-13(15-10)17-5-7-20-8-6-17/h9H,1-8H2
InChIKeyZOMPLGLSWKNRDO-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.48
Rot. Bonds2

About 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one

1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one (PubChem CID 59507587) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one
PubChem CID59507587
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one
SMILESO=C1CCCCN1c1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17ClN4O2/c14-10-9-11(18-4-2-1-3-12(18)19)16-13(15-10)17-5-7-20-8-6-17/h9H,1-8H2
InChIKeyZOMPLGLSWKNRDO-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
8-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-oxa-8-azaspiro[4.5]decane
CID 90226435
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
4-[4-chloro-6-(1-methylcyclopropyl)pyrimidin-2-yl]morpholine
CID 145100368
1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine
CID 121428505
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 170307917
4-[4-chloro-6-(1H-imidazol-2-yl)pyrimidin-2-yl]morpholine
CID 87606474
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
The IUPAC name of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one (CID 59507587) is 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one.
What is the SMILES notation for 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
The canonical SMILES for 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one is O=C1CCCCN1c1cc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
The InChIKey is ZOMPLGLSWKNRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-10-9-11(18-4-2-1-3-12(18)19)16-13(15-10)17-5-7-20-8-6-17/h9H,1-8H2.
What are the key properties of 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one has a molecular weight of 296.76 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one is sourced from PubChem (CID 59507587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).