N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C10H16N6O2S — CID 60704992

IUPACN-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)NCCNC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H16N6O2S/c1-6(17)13-2-3-14-9(18)5-19-10-15-7(11)4-8(12)16-10/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)(H4,11,12,15,16)
InChIKeyCTXILFPGQLSTSD-UHFFFAOYSA-N
MW284.34 g/mol
LogP-1.01
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 60704992) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID60704992
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC NameN-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)NCCNC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H16N6O2S/c1-6(17)13-2-3-14-9(18)5-19-10-15-7(11)4-8(12)16-10/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)(H4,11,12,15,16)
InChIKeyCTXILFPGQLSTSD-UHFFFAOYSA-N
XLogP-1.01
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-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-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 60704992) is N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is CC(=O)NCCNC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is CTXILFPGQLSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-6(17)13-2-3-14-9(18)5-19-10-15-7(11)4-8(12)16-10/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)(H4,11,12,15,16).
What are the key properties of N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 284.34 g/mol, XLogP of -1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 60704992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).