6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

C9H14N3O3S+ — CID 6922024

IUPAC6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1C[NH+]1CCOCC1
InChIInChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16)/p+1
InChIKeyCVXZAFPIPPLYLJ-UHFFFAOYSA-O
MW244.30 g/mol
LogP-1.45
Rot. Bonds2

About 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 6922024) has the molecular formula C9H14N3O3S+ and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID6922024
Molecular FormulaC9H14N3O3S+
Molecular Weight244.30 g/mol
Exact Mass244.08
IUPAC Name6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c(O)c1C[NH+]1CCOCC1
InChIInChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16)/p+1
InChIKeyCVXZAFPIPPLYLJ-UHFFFAOYSA-O
XLogP-1.45
TPSA82.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-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 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 6922024) is 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]c(O)c1C[NH+]1CCOCC1.
What is the InChIKey of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is CVXZAFPIPPLYLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3O3S/c13-7-6(8(14)11-9(16)10-7)5-12-1-3-15-4-2-12/h1-5H2,(H3,10,11,13,14,16)/p+1.
What are the key properties of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 244.30 g/mol, XLogP of -1.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 6922024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).