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

C13H15N3OS — CID 55018268

IUPAC2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCOc1cccc(C(CN)Sc2ncccn2)c1
InChIInChI=1S/C13H15N3OS/c1-17-11-5-2-4-10(8-11)12(9-14)18-13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3
InChIKeyNCGLORDBRBXTTA-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.28
Rot. Bonds5

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

2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 55018268) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID55018268
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCOc1cccc(C(CN)Sc2ncccn2)c1
InChIInChI=1S/C13H15N3OS/c1-17-11-5-2-4-10(8-11)12(9-14)18-13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3
InChIKeyNCGLORDBRBXTTA-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

2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
2-(3-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 55017982
1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650593
2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
CID 62804598
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
3-[2-amino-1-(3-methoxyphenyl)ethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62882150
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 55018268) is 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine is COc1cccc(C(CN)Sc2ncccn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is NCGLORDBRBXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-17-11-5-2-4-10(8-11)12(9-14)18-13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
2-(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 2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 55018268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).