4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

C10H16N4OS — CID 136876841

IUPAC4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCN2CCSCC2)nc[nH]1
InChIInChI=1S/C10H16N4OS/c15-10-7-9(12-8-13-10)11-1-2-14-3-5-16-6-4-14/h7-8H,1-6H2,(H2,11,12,13,15)
InChIKeyPAWYSQKMZGWLGD-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.23
Rot. Bonds4

About 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136876841) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136876841
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCN2CCSCC2)nc[nH]1
InChIInChI=1S/C10H16N4OS/c15-10-7-9(12-8-13-10)11-1-2-14-3-5-16-6-4-14/h7-8H,1-6H2,(H2,11,12,13,15)
InChIKeyPAWYSQKMZGWLGD-UHFFFAOYSA-N
XLogP0.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-amino-1H-pyrimidin-6-one
CID 135530924
3-Methyl-6-piperazin-1-ylpyrimidin-4-one
CID 117713852
6-(4-Methylpiperazin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136102577
2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 61684657
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-prop-2-enylacetamide
CID 109984948
4-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135964011
4-amino-2-(2-piperazin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 135974743
6-amino-2-thiomorpholin-4-ylpyrimidin-4(3H)-one
CID 136159799
4-amino-2-(1-oxo-1-piperazin-1-ylpropan-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 136180871
4-amino-2-(3-oxo-3-piperazin-1-ylpropyl)sulfanyl-1H-pyrimidin-6-one
CID 136187274
4-amino-2-(2-oxo-2-piperazin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 136197759

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (CID 136876841) is 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCN2CCSCC2)nc[nH]1.
What is the InChIKey of 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is PAWYSQKMZGWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c15-10-7-9(12-8-13-10)11-1-2-14-3-5-16-6-4-14/h7-8H,1-6H2,(H2,11,12,13,15).
What are the key properties of 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136876841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).