N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide

C11H17N3OS — CID 39073762

IUPACN-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCCCN(C)C(=O)CSc1ncccn1
InChIInChI=1S/C11H17N3OS/c1-3-4-8-14(2)10(15)9-16-11-12-6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3
InChIKeyKFFBAPOVTHWLAF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.83
Rot. Bonds6

About N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide

N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 39073762) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID39073762
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCCCN(C)C(=O)CSc1ncccn1
InChIInChI=1S/C11H17N3OS/c1-3-4-8-14(2)10(15)9-16-11-12-6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3
InChIKeyKFFBAPOVTHWLAF-UHFFFAOYSA-N
XLogP1.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide 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-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide (CID 39073762) is N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide is CCCCN(C)C(=O)CSc1ncccn1.
What is the InChIKey of N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is KFFBAPOVTHWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-4-8-14(2)10(15)9-16-11-12-6-5-7-13-11/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 39073762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).