N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

C12H19N3O3S — CID 135403382

IUPACN-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O
InChIInChI=1S/C12H19N3O3S/c1-5-15-10(18)6-8(16)13-11(15)19-7-9(17)14-12(2,3)4/h6,16H,5,7H2,1-4H3,(H,14,17)
InChIKeyZGYHZNJAZPMHQD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.98
Rot. Bonds4

About N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135403382) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135403382
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O
InChIInChI=1S/C12H19N3O3S/c1-5-15-10(18)6-8(16)13-11(15)19-7-9(17)14-12(2,3)4/h6,16H,5,7H2,1-4H3,(H,14,17)
InChIKeyZGYHZNJAZPMHQD-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide 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 N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135403382) is N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O.
What is the InChIKey of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ZGYHZNJAZPMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-15-10(18)6-8(16)13-11(15)19-7-9(17)14-12(2,3)4/h6,16H,5,7H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135403382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).