4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine

C16H21N3OS — CID 115974555

IUPAC4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCSc2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-3-10-20-15-12-13(2)18-16(19-15)17-9-11-21-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,17,18,19)
InChIKeyQRNMWGYJYHPTKQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.78
Rot. Bonds8

About 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine

4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine (PubChem CID 115974555) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
PubChem CID115974555
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCSc2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-3-10-20-15-12-13(2)18-16(19-15)17-9-11-21-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,17,18,19)
InChIKeyQRNMWGYJYHPTKQ-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine 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

4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine (CID 115974555) is 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCSc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine?
The InChIKey is QRNMWGYJYHPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-10-20-15-12-13(2)18-16(19-15)17-9-11-21-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,17,18,19).
What are the key properties of 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine?
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115974555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).