2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C16H22N4O4S — CID 118765887

IUPAC2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCSc1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H22N4O4S/c1-25-16-17-10-12(13(21)18-16)15(23)19-4-2-11(3-5-19)14(22)20-6-8-24-9-7-20/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyXDCOMWGVVUGQCS-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.20
Rot. Bonds3

About 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 118765887) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID118765887
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCSc1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H22N4O4S/c1-25-16-17-10-12(13(21)18-16)15(23)19-4-2-11(3-5-19)14(22)20-6-8-24-9-7-20/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyXDCOMWGVVUGQCS-UHFFFAOYSA-N
XLogP0.20
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 118765887) is 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is CSc1ncc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is XDCOMWGVVUGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-25-16-17-10-12(13(21)18-16)15(23)19-4-2-11(3-5-19)14(22)20-6-8-24-9-7-20/h10-11H,2-9H2,1H3,(H,17,18,21).
What are the key properties of 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 366.44 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 118765887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).