1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone

C10H13N3O2S — CID 1084804

IUPAC1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone
SMILESO=C(CSc1ncccn1)N1CCOCC1
InChIInChI=1S/C10H13N3O2S/c14-9(13-4-6-15-7-5-13)8-16-10-11-2-1-3-12-10/h1-3H,4-8H2
InChIKeyIHXINZIWXWFNPG-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.43
Rot. Bonds3

About 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone

1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone (PubChem CID 1084804) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone
PubChem CID1084804
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone
SMILESO=C(CSc1ncccn1)N1CCOCC1
InChIInChI=1S/C10H13N3O2S/c14-9(13-4-6-15-7-5-13)8-16-10-11-2-1-3-12-10/h1-3H,4-8H2
InChIKeyIHXINZIWXWFNPG-UHFFFAOYSA-N
XLogP0.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone 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 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone (CID 1084804) is 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone is O=C(CSc1ncccn1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone?
The InChIKey is IHXINZIWXWFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-9(13-4-6-15-7-5-13)8-16-10-11-2-1-3-12-10/h1-3H,4-8H2.
What are the key properties of 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone?
1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone has a molecular weight of 239.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-pyrimidin-2-ylsulfanylethanone is sourced from PubChem (CID 1084804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).