4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one

C13H20N4O2 — CID 156533561

IUPAC4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C13H20N4O2/c18-12-10-11(16-6-8-19-9-7-16)14-13(15-12)17-4-2-1-3-5-17/h10H,1-9H2,(H,14,15,18)
InChIKeyJSJBRMWPGFAQAT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.60
Rot. Bonds2

About 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one

4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 156533561) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID156533561
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C13H20N4O2/c18-12-10-11(16-6-8-19-9-7-16)14-13(15-12)17-4-2-1-3-5-17/h10H,1-9H2,(H,14,15,18)
InChIKeyJSJBRMWPGFAQAT-UHFFFAOYSA-N
XLogP0.60
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 156533561) is 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1cc(N2CCOCC2)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is JSJBRMWPGFAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12-10-11(16-6-8-19-9-7-16)14-13(15-12)17-4-2-1-3-5-17/h10H,1-9H2,(H,14,15,18).
What are the key properties of 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 156533561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).