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

C13H17ClN4O2 — CID 86645889

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

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

1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one (PubChem CID 86645889) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one
PubChem CID86645889
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one
SMILESO=C1CCCCN1c1cc(N2CCOCC2)nc(Cl)n1
InChIInChI=1S/C13H17ClN4O2/c14-13-15-10(17-5-7-20-8-6-17)9-11(16-13)18-4-2-1-3-12(18)19/h9H,1-8H2
InChIKeyJRWLRFWRDXHQFV-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
The IUPAC name of 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one (CID 86645889) is 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one.
What is the SMILES notation for 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
The canonical SMILES for 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one is O=C1CCCCN1c1cc(N2CCOCC2)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
The InChIKey is JRWLRFWRDXHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-13-15-10(17-5-7-20-8-6-17)9-11(16-13)18-4-2-1-3-12(18)19/h9H,1-8H2.
What are the key properties of 1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one?
1-(2-chloro-6-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-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)piperidin-2-one is sourced from PubChem (CID 86645889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).