N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine

C16H21N3OS — CID 64626387

IUPACN-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCCNC(CSc1ncc(C)cn1)c1ccccc1OC
InChIInChI=1S/C16H21N3OS/c1-4-17-14(13-7-5-6-8-15(13)20-3)11-21-16-18-9-12(2)10-19-16/h5-10,14,17H,4,11H2,1-3H3
InChIKeyJVIKDKHHOOSZQS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine

N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 64626387) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
PubChem CID64626387
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCCNC(CSc1ncc(C)cn1)c1ccccc1OC
InChIInChI=1S/C16H21N3OS/c1-4-17-14(13-7-5-6-8-15(13)20-3)11-21-16-18-9-12(2)10-19-16/h5-10,14,17H,4,11H2,1-3H3
InChIKeyJVIKDKHHOOSZQS-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628025
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64626233
1-(3,4-dimethylphenyl)-N-ethyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626397
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
N-[1-(2-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propan-1-amine
CID 104604633
N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine (CID 64626387) is N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine is CCNC(CSc1ncc(C)cn1)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is JVIKDKHHOOSZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-17-14(13-7-5-6-8-15(13)20-3)11-21-16-18-9-12(2)10-19-16/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 64626387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).