N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine

C15H19N3OS — CID 64650219

IUPACN-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCCNC(CSc1ncccn1)c1cccc(OC)c1
InChIInChI=1S/C15H19N3OS/c1-3-16-14(11-20-15-17-8-5-9-18-15)12-6-4-7-13(10-12)19-2/h4-10,14,16H,3,11H2,1-2H3
InChIKeyWNPHOIJKEFGIJF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.93
Rot. Bonds7

About N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine

N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 64650219) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID64650219
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCCNC(CSc1ncccn1)c1cccc(OC)c1
InChIInChI=1S/C15H19N3OS/c1-3-16-14(11-20-15-17-8-5-9-18-15)12-6-4-7-13(10-12)19-2/h4-10,14,16H,3,11H2,1-2H3
InChIKeyWNPHOIJKEFGIJF-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650593
1-(3,4-dimethylphenyl)-N-ethyl-2-pyrimidin-2-ylsulfanylethanamine
CID 64650599
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 106927965
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 64650219) is N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine is CCNC(CSc1ncccn1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is WNPHOIJKEFGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-16-14(11-20-15-17-8-5-9-18-15)12-6-4-7-13(10-12)19-2/h4-10,14,16H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 64650219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).