N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

C15H19N3S — CID 62268390

IUPACN-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1ccc(Sc2nccc(C)n2)cc1
InChIInChI=1S/C15H19N3S/c1-4-16-12(3)13-5-7-14(8-6-13)19-15-17-10-9-11(2)18-15/h5-10,12,16H,4H2,1-3H3
InChIKeyVXBRUABRIWNCFI-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.61
Rot. Bonds5

About N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (PubChem CID 62268390) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
PubChem CID62268390
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1ccc(Sc2nccc(C)n2)cc1
InChIInChI=1S/C15H19N3S/c1-4-16-12(3)13-5-7-14(8-6-13)19-15-17-10-9-11(2)18-15/h5-10,12,16H,4H2,1-3H3
InChIKeyVXBRUABRIWNCFI-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 62304633
N-[[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239257
1-[4-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 82969621
1-[5-(4-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanamine
CID 83123424
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 63533066
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
2-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63677183
2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (CID 62268390) is N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is CCNC(C)c1ccc(Sc2nccc(C)n2)cc1.
What is the InChIKey of N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The InChIKey is VXBRUABRIWNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-16-12(3)13-5-7-14(8-6-13)19-15-17-10-9-11(2)18-15/h5-10,12,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 62268390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).