2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline

C12H13N3O2 — CID 69194647

IUPAC2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
SMILESCOc1cc(Oc2cc(C)ncn2)ccc1N
InChIInChI=1S/C12H13N3O2/c1-8-5-12(15-7-14-8)17-9-3-4-10(13)11(6-9)16-2/h3-7H,13H2,1-2H3
InChIKeyACIIWKZETWKZGL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.17
Rot. Bonds3

About 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline

2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline (PubChem CID 69194647) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
PubChem CID69194647
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
SMILESCOc1cc(Oc2cc(C)ncn2)ccc1N
InChIInChI=1S/C12H13N3O2/c1-8-5-12(15-7-14-8)17-9-3-4-10(13)11(6-9)16-2/h3-7H,13H2,1-2H3
InChIKeyACIIWKZETWKZGL-UHFFFAOYSA-N
XLogP2.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine
CID 16643303
4-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224161
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
CID 69195684
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
4-(2,3-dimethylphenoxy)-2-methoxyaniline
CID 63677998
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline (CID 69194647) is 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline is COc1cc(Oc2cc(C)ncn2)ccc1N.
What is the InChIKey of 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline?
The InChIKey is ACIIWKZETWKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-5-12(15-7-14-8)17-9-3-4-10(13)11(6-9)16-2/h3-7H,13H2,1-2H3.
What are the key properties of 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline?
2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline has a molecular weight of 231.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 69194647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).