2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide

C11H18N4OS — CID 114235153

IUPAC2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1cc(N)nc(CC)n1
InChIInChI=1S/C11H18N4OS/c1-3-5-13-10(16)7-17-11-6-8(12)14-9(4-2)15-11/h6H,3-5,7H2,1-2H3,(H,13,16)(H2,12,14,15)
InChIKeyIPOMGUDIDFEMJA-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.24
Rot. Bonds6

About 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide

2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide (PubChem CID 114235153) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide
PubChem CID114235153
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1cc(N)nc(CC)n1
InChIInChI=1S/C11H18N4OS/c1-3-5-13-10(16)7-17-11-6-8(12)14-9(4-2)15-11/h6H,3-5,7H2,1-2H3,(H,13,16)(H2,12,14,15)
InChIKeyIPOMGUDIDFEMJA-UHFFFAOYSA-N
XLogP1.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide 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-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide (CID 114235153) is 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSc1cc(N)nc(CC)n1.
What is the InChIKey of 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
The InChIKey is IPOMGUDIDFEMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-5-13-10(16)7-17-11-6-8(12)14-9(4-2)15-11/h6H,3-5,7H2,1-2H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide?
2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide has a molecular weight of 254.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 114235153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).