2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide

C13H22N4OS — CID 62267517

IUPAC2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide
SMILESCCCNC(C)(CCSc1nccc(C)n1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-4-7-16-13(3,11(14)18)6-9-19-12-15-8-5-10(2)17-12/h5,8,16H,4,6-7,9H2,1-3H3,(H2,14,18)
InChIKeyDBJHNVMTCHMFJO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.51
Rot. Bonds8

About 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide

2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide (PubChem CID 62267517) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide.

Molecular Properties

Compound Name2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide
PubChem CID62267517
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide
SMILESCCCNC(C)(CCSc1nccc(C)n1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-4-7-16-13(3,11(14)18)6-9-19-12-15-8-5-10(2)17-12/h5,8,16H,4,6-7,9H2,1-3H3,(H2,14,18)
InChIKeyDBJHNVMTCHMFJO-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide 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-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide?
The IUPAC name of 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide (CID 62267517) is 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide.
What is the SMILES notation for 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide?
The canonical SMILES for 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide is CCCNC(C)(CCSc1nccc(C)n1)C(N)=O.
What is the InChIKey of 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide?
The InChIKey is DBJHNVMTCHMFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-7-16-13(3,11(14)18)6-9-19-12-15-8-5-10(2)17-12/h5,8,16H,4,6-7,9H2,1-3H3,(H2,14,18).
What are the key properties of 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide?
2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide has a molecular weight of 282.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butanamide is sourced from PubChem (CID 62267517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).