6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

C9H13N3O2S — CID 38997261

IUPAC6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(CN2CCOCC2)[nH]c(=S)[nH]1
InChIInChI=1S/C9H13N3O2S/c13-8-5-7(10-9(15)11-8)6-12-1-3-14-4-2-12/h5H,1-4,6H2,(H2,10,11,13,15)
InChIKeyKCSFADISYSEEGE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.26
Rot. Bonds2

About 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 38997261) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID38997261
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(CN2CCOCC2)[nH]c(=S)[nH]1
InChIInChI=1S/C9H13N3O2S/c13-8-5-7(10-9(15)11-8)6-12-1-3-14-4-2-12/h5H,1-4,6H2,(H2,10,11,13,15)
InChIKeyKCSFADISYSEEGE-UHFFFAOYSA-N
XLogP0.26
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10661952
6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549733
[2-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179949
4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
CID 138491339
[2-(morpholin-4-ylmethyl)-1H-indol-7-yl]methanamine
CID 117183411
5,8-dimethyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72928303
6-[[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 163316894
5-(2-morpholin-4-ylethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 117224730
6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 122560295
6-amino-5-(morpholin-4-ylmethyl)-1H-pyrimidin-2-one
CID 15947326
3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
CID 112536424

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 38997261) is 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(CN2CCOCC2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is KCSFADISYSEEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-8-5-7(10-9(15)11-8)6-12-1-3-14-4-2-12/h5H,1-4,6H2,(H2,10,11,13,15).
What are the key properties of 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 227.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 38997261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).