5-methoxy-2-pyrimidin-4-yloxyaniline

C11H11N3O2 — CID 61253774

IUPAC5-methoxy-2-pyrimidin-4-yloxyaniline
SMILESCOc1ccc(Oc2ccncn2)c(N)c1
InChIInChI=1S/C11H11N3O2/c1-15-8-2-3-10(9(12)6-8)16-11-4-5-13-7-14-11/h2-7H,12H2,1H3
InChIKeyWFNVHPKUOYNSSF-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds3

About 5-methoxy-2-pyrimidin-4-yloxyaniline

5-methoxy-2-pyrimidin-4-yloxyaniline (PubChem CID 61253774) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methoxy-2-pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name5-methoxy-2-pyrimidin-4-yloxyaniline
PubChem CID61253774
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-methoxy-2-pyrimidin-4-yloxyaniline
SMILESCOc1ccc(Oc2ccncn2)c(N)c1
InChIInChI=1S/C11H11N3O2/c1-15-8-2-3-10(9(12)6-8)16-11-4-5-13-7-14-11/h2-7H,12H2,1H3
InChIKeyWFNVHPKUOYNSSF-UHFFFAOYSA-N
XLogP1.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-pyrimidin-4-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 106973111
2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline
CID 61239356
2-[(5-chloro-2-pyridinyl)oxy]-5-methoxyaniline
CID 43173743
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
2-[(5-methoxy-2-pyridinyl)oxy]-5-methylaniline
CID 106504321
2-chloro-4-pyrimidin-4-yloxyaniline
CID 62111624
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
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 115372664

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrimidin-4-yloxyaniline?
The IUPAC name of 5-methoxy-2-pyrimidin-4-yloxyaniline (CID 61253774) is 5-methoxy-2-pyrimidin-4-yloxyaniline.
What is the SMILES notation for 5-methoxy-2-pyrimidin-4-yloxyaniline?
The canonical SMILES for 5-methoxy-2-pyrimidin-4-yloxyaniline is COc1ccc(Oc2ccncn2)c(N)c1.
What is the InChIKey of 5-methoxy-2-pyrimidin-4-yloxyaniline?
The InChIKey is WFNVHPKUOYNSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-8-2-3-10(9(12)6-8)16-11-4-5-13-7-14-11/h2-7H,12H2,1H3.
What are the key properties of 5-methoxy-2-pyrimidin-4-yloxyaniline?
5-methoxy-2-pyrimidin-4-yloxyaniline has a molecular weight of 217.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrimidin-4-yloxyaniline is sourced from PubChem (CID 61253774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).