N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine

C15H19N3S — CID 102536040

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine
SMILESCCSc1ncc(CNC(C)c2ccccc2)cn1
InChIInChI=1S/C15H19N3S/c1-3-19-15-17-10-13(11-18-15)9-16-12(2)14-7-5-4-6-8-14/h4-8,10-12,16H,3,9H2,1-2H3
InChIKeyPYNXSRXGMRZROX-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.44
Rot. Bonds6

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine (PubChem CID 102536040) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine
PubChem CID102536040
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine
SMILESCCSc1ncc(CNC(C)c2ccccc2)cn1
InChIInChI=1S/C15H19N3S/c1-3-19-15-17-10-13(11-18-15)9-16-12(2)14-7-5-4-6-8-14/h4-8,10-12,16H,3,9H2,1-2H3
InChIKeyPYNXSRXGMRZROX-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine 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-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine
CID 102536236
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine (CID 102536040) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine is CCSc1ncc(CNC(C)c2ccccc2)cn1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine?
The InChIKey is PYNXSRXGMRZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-19-15-17-10-13(11-18-15)9-16-12(2)14-7-5-4-6-8-14/h4-8,10-12,16H,3,9H2,1-2H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 102536040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).