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

C13H15N3OS — CID 64650593

IUPAC1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCOc1cccc(C(N)CSc2ncccn2)c1
InChIInChI=1S/C13H15N3OS/c1-17-11-5-2-4-10(8-11)12(14)9-18-13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3
InChIKeyQBSBFHNTKARXLS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.28
Rot. Bonds5

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

1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 64650593) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID64650593
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCOc1cccc(C(N)CSc2ncccn2)c1
InChIInChI=1S/C13H15N3OS/c1-17-11-5-2-4-10(8-11)12(14)9-18-13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3
InChIKeyQBSBFHNTKARXLS-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanamine
CID 64628643
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64648152
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79020836
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine
CID 64647682
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 64650593) is 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine is COc1cccc(C(N)CSc2ncccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is QBSBFHNTKARXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-17-11-5-2-4-10(8-11)12(14)9-18-13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine has a molecular weight of 261.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 64650593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).