2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide

C16H20N4OS — CID 16560441

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(N)n1
InChIInChI=1S/C16H20N4OS/c1-3-20(10-13-7-5-4-6-8-13)15(21)11-22-16-18-12(2)9-14(17)19-16/h4-9H,3,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyCPGAUPMHLZPLOV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.51
Rot. Bonds6

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide (PubChem CID 16560441) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide
PubChem CID16560441
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(N)n1
InChIInChI=1S/C16H20N4OS/c1-3-20(10-13-7-5-4-6-8-13)15(21)11-22-16-18-12(2)9-14(17)19-16/h4-9H,3,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyCPGAUPMHLZPLOV-UHFFFAOYSA-N
XLogP2.51
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide 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-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide (CID 16560441) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(N)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide?
The InChIKey is CPGAUPMHLZPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-20(10-13-7-5-4-6-8-13)15(21)11-22-16-18-12(2)9-14(17)19-16/h4-9H,3,10-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide has a molecular weight of 316.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 16560441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).