5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline

C12H13N3O2S — CID 106973111

IUPAC5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
SMILESCOc1ccc(Oc2cc(SC)ncn2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-16-8-3-4-10(9(13)5-8)17-11-6-12(18-2)15-7-14-11/h3-7H,13H2,1-2H3
InChIKeyZWYQCRJZLHIZAI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.58
Rot. Bonds4

About 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline

5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline (PubChem CID 106973111) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
PubChem CID106973111
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
SMILESCOc1ccc(Oc2cc(SC)ncn2)c(N)c1
InChIInChI=1S/C12H13N3O2S/c1-16-8-3-4-10(9(13)5-8)17-11-6-12(18-2)15-7-14-11/h3-7H,13H2,1-2H3
InChIKeyZWYQCRJZLHIZAI-UHFFFAOYSA-N
XLogP2.58
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline
CID 61239356
5-methoxy-2-pyrimidin-4-yloxyaniline
CID 61253774
4-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 67523901
2-[(5-chloro-2-pyridinyl)oxy]-5-methoxyaniline
CID 43173743
2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
CID 106973405
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-[(5-methoxy-2-pyridinyl)oxy]-5-methylaniline
CID 106504321
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline (CID 106973111) is 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline is COc1ccc(Oc2cc(SC)ncn2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline?
The InChIKey is ZWYQCRJZLHIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-16-8-3-4-10(9(13)5-8)17-11-6-12(18-2)15-7-14-11/h3-7H,13H2,1-2H3.
What are the key properties of 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline?
5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline has a molecular weight of 263.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 106973111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).