2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

C17H20N4O3S — CID 163343816

IUPAC2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(C1CN(c2cc(=O)n3ccccc3n2)CCO1)N1CCSCC1
InChIInChI=1S/C17H20N4O3S/c22-16-11-15(18-14-3-1-2-4-21(14)16)20-5-8-24-13(12-20)17(23)19-6-9-25-10-7-19/h1-4,11,13H,5-10,12H2
InChIKeyYBWHQMJWEHHIMQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.48
Rot. Bonds2

About 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 163343816) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID163343816
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(C1CN(c2cc(=O)n3ccccc3n2)CCO1)N1CCSCC1
InChIInChI=1S/C17H20N4O3S/c22-16-11-15(18-14-3-1-2-4-21(14)16)20-5-8-24-13(12-20)17(23)19-6-9-25-10-7-19/h1-4,11,13H,5-10,12H2
InChIKeyYBWHQMJWEHHIMQ-UHFFFAOYSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (CID 163343816) is 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is O=C(C1CN(c2cc(=O)n3ccccc3n2)CCO1)N1CCSCC1.
What is the InChIKey of 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YBWHQMJWEHHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-16-11-15(18-14-3-1-2-4-21(14)16)20-5-8-24-13(12-20)17(23)19-6-9-25-10-7-19/h1-4,11,13H,5-10,12H2.
What are the key properties of 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163343816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).