2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide

C12H18N4OS — CID 63920649

IUPAC2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(SCC(N)(C(N)=O)C2CC2)n1
InChIInChI=1S/C12H18N4OS/c1-7-5-8(2)16-11(15-7)18-6-12(14,10(13)17)9-3-4-9/h5,9H,3-4,6,14H2,1-2H3,(H2,13,17)
InChIKeyMWAPXOLLACJMGA-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide

2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 63920649) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID63920649
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(SCC(N)(C(N)=O)C2CC2)n1
InChIInChI=1S/C12H18N4OS/c1-7-5-8(2)16-11(15-7)18-6-12(14,10(13)17)9-3-4-9/h5,9H,3-4,6,14H2,1-2H3,(H2,13,17)
InChIKeyMWAPXOLLACJMGA-UHFFFAOYSA-N
XLogP0.78
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide 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-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (CID 63920649) is 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1cc(C)nc(SCC(N)(C(N)=O)C2CC2)n1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is MWAPXOLLACJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-5-8(2)16-11(15-7)18-6-12(14,10(13)17)9-3-4-9/h5,9H,3-4,6,14H2,1-2H3,(H2,13,17).
What are the key properties of 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 63920649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).