5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one

C13H17N5O2S — CID 110695493

IUPAC5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1CSCC(C(=O)N2CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C13H17N5O2S/c19-11-9-21-8-10(16-11)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10H,4-9H2,(H,16,19)
InChIKeyCYYUQFJUSBSTCS-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.64
Rot. Bonds2

About 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one (PubChem CID 110695493) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one.

Molecular Properties

Compound Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one
PubChem CID110695493
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1CSCC(C(=O)N2CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C13H17N5O2S/c19-11-9-21-8-10(16-11)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10H,4-9H2,(H,16,19)
InChIKeyCYYUQFJUSBSTCS-UHFFFAOYSA-N
XLogP-0.64
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 110696756
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 110695468
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(3S)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 95986494
(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 52991131
N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43700130
N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119873292

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one?
The IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one (CID 110695493) is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one.
What is the SMILES notation for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one?
The canonical SMILES for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one is O=C1CSCC(C(=O)N2CCN(c3ncccn3)CC2)N1.
What is the InChIKey of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one?
The InChIKey is CYYUQFJUSBSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-11-9-21-8-10(16-11)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10H,4-9H2,(H,16,19).
What are the key properties of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one?
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one has a molecular weight of 307.38 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one is sourced from PubChem (CID 110695493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).