2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

C13H15N3S — CID 55016607

IUPAC2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCc1ccc(C(CN)Sc2ncccn2)cc1
InChIInChI=1S/C13H15N3S/c1-10-3-5-11(6-4-10)12(9-14)17-13-15-7-2-8-16-13/h2-8,12H,9,14H2,1H3
InChIKeyGFPZUUZVLTWYRH-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 55016607) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID55016607
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCc1ccc(C(CN)Sc2ncccn2)cc1
InChIInChI=1S/C13H15N3S/c1-10-3-5-11(6-4-10)12(9-14)17-13-15-7-2-8-16-13/h2-8,12H,9,14H2,1H3
InChIKeyGFPZUUZVLTWYRH-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine 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-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
2-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 55016371
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016654
5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
2-pyridin-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65043575
2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 62269086
2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65039017
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 55016607) is 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is Cc1ccc(C(CN)Sc2ncccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is GFPZUUZVLTWYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10-3-5-11(6-4-10)12(9-14)17-13-15-7-2-8-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine has a molecular weight of 245.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 55016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).