4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one

C10H17N3OS — CID 3530087

IUPAC4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
SMILESCCN(CC)CCSc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3OS/c1-3-13(4-2)5-6-15-10-7-9(14)11-8-12-10/h7-8H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyJUJBYLAJRXQCEO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.20
Rot. Bonds6

About 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one

4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 3530087) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
PubChem CID3530087
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
SMILESCCN(CC)CCSc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3OS/c1-3-13(4-2)5-6-15-10-7-9(14)11-8-12-10/h7-8H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyJUJBYLAJRXQCEO-UHFFFAOYSA-N
XLogP1.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(diethylamino)ethylsulfanyl]-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 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one (CID 3530087) is 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one is CCN(CC)CCSc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is JUJBYLAJRXQCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-13(4-2)5-6-15-10-7-9(14)11-8-12-10/h7-8H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 227.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 3530087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).