2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide

C11H15N5OS — CID 6499900

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C11H15N5OS/c1-3-7(2)15-9(17)6-18-11-14-5-8(4-12)10(13)16-11/h5,7H,3,6H2,1-2H3,(H,15,17)(H2,13,14,16)
InChIKeyPYEWGDBKEFNEHV-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.94
Rot. Bonds5

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide (PubChem CID 6499900) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide
PubChem CID6499900
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C11H15N5OS/c1-3-7(2)15-9(17)6-18-11-14-5-8(4-12)10(13)16-11/h5,7H,3,6H2,1-2H3,(H,15,17)(H2,13,14,16)
InChIKeyPYEWGDBKEFNEHV-UHFFFAOYSA-N
XLogP0.94
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide 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-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide (CID 6499900) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide is CCC(C)NC(=O)CSc1ncc(C#N)c(N)n1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide?
The InChIKey is PYEWGDBKEFNEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-7(2)15-9(17)6-18-11-14-5-8(4-12)10(13)16-11/h5,7H,3,6H2,1-2H3,(H,15,17)(H2,13,14,16).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide has a molecular weight of 265.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-butan-2-ylacetamide is sourced from PubChem (CID 6499900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).