2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one

C10H15N3OS — CID 143328123

IUPAC2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one
SMILESCC(C)C(=O)c1cncnc1NCCS
InChIInChI=1S/C10H15N3OS/c1-7(2)9(14)8-5-11-6-13-10(8)12-3-4-15/h5-7,15H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyMUNVGPJDTOVPQA-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one

2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one (PubChem CID 143328123) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one
PubChem CID143328123
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one
SMILESCC(C)C(=O)c1cncnc1NCCS
InChIInChI=1S/C10H15N3OS/c1-7(2)9(14)8-5-11-6-13-10(8)12-3-4-15/h5-7,15H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyMUNVGPJDTOVPQA-UHFFFAOYSA-N
XLogP1.66
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[2-(2-sulfanylethylamino)-3-pyridinyl]propan-1-one
CID 143284328
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
ethane;2-methyl-1-[6-(2-sulfanylethylamino)-3-pyridinyl]propan-1-one
CID 143284305
3-[(5-carbamothioylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 112755481
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
4-[[3-(diethylamino)-3-oxopropyl]amino]pyrimidine-5-carboxylic acid
CID 114214618
4-[2-[methyl(methylsulfonyl)amino]ethylamino]pyrimidine-5-carboxylic acid
CID 72891695
4-[(2,5-dimethylphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 115148925
4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 142718127
2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide
CID 130541201
4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 114214842
methyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyrimidine-5-carboxylate
CID 114213984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one (CID 143328123) is 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one is CC(C)C(=O)c1cncnc1NCCS.
What is the InChIKey of 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one?
The InChIKey is MUNVGPJDTOVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(2)9(14)8-5-11-6-13-10(8)12-3-4-15/h5-7,15H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one?
2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one has a molecular weight of 225.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one is sourced from PubChem (CID 143328123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).