N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine

C18H25N3S — CID 75495441

IUPACN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(C)NC(C)c2cnc(C)nc2C)cc1
InChIInChI=1S/C18H25N3S/c1-6-22-17-9-7-16(8-10-17)12(2)20-13(3)18-11-19-15(5)21-14(18)4/h7-13,20H,6H2,1-5H3
InChIKeyDMXLWUAZHUNNIX-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.62
Rot. Bonds6

About N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine

N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine (PubChem CID 75495441) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine
PubChem CID75495441
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(C)NC(C)c2cnc(C)nc2C)cc1
InChIInChI=1S/C18H25N3S/c1-6-22-17-9-7-16(8-10-17)12(2)20-13(3)18-11-19-15(5)21-14(18)4/h7-13,20H,6H2,1-5H3
InChIKeyDMXLWUAZHUNNIX-UHFFFAOYSA-N
XLogP4.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine?
The IUPAC name of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine (CID 75495441) is N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine is CCSc1ccc(C(C)NC(C)c2cnc(C)nc2C)cc1.
What is the InChIKey of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine?
The InChIKey is DMXLWUAZHUNNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-6-22-17-9-7-16(8-10-17)12(2)20-13(3)18-11-19-15(5)21-14(18)4/h7-13,20H,6H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine?
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine has a molecular weight of 315.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine is sourced from PubChem (CID 75495441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).