N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine

C13H15N3S — CID 63805494

IUPACN-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccccc1Sc1ncccn1
InChIInChI=1S/C13H15N3S/c1-2-14-10-11-6-3-4-7-12(11)17-13-15-8-5-9-16-13/h3-9,14H,2,10H2,1H3
InChIKeyONQBHLXTQFAZRT-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine

N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine (PubChem CID 63805494) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
PubChem CID63805494
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccccc1Sc1ncccn1
InChIInChI=1S/C13H15N3S/c1-2-14-10-11-6-3-4-7-12(11)17-13-15-8-5-9-16-13/h3-9,14H,2,10H2,1H3
InChIKeyONQBHLXTQFAZRT-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine 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

N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
N-[[2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107783150
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine
CID 63809376
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63809843
2-(ethylaminomethyl)phenol
CID 12995218
N-[[2-(4-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 63808522
N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
CID 63813023
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine (CID 63805494) is N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine is CCNCc1ccccc1Sc1ncccn1.
What is the InChIKey of N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine?
The InChIKey is ONQBHLXTQFAZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-14-10-11-6-3-4-7-12(11)17-13-15-8-5-9-16-13/h3-9,14H,2,10H2,1H3.
What are the key properties of N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine?
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 63805494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).