2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one

C11H17N3OS — CID 136823718

IUPAC2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCSC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-9-13-10(5-11(15)14-9)12-6-8-3-4-16-7-8/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyAVHQLLYBMCDKHL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.50
Rot. Bonds4

About 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one

2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136823718) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136823718
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCSC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-9-13-10(5-11(15)14-9)12-6-8-3-4-16-7-8/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyAVHQLLYBMCDKHL-UHFFFAOYSA-N
XLogP1.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-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 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136823718) is 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one is CCc1nc(NCC2CCSC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is AVHQLLYBMCDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-9-13-10(5-11(15)14-9)12-6-8-3-4-16-7-8/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136823718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).