4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline

C12H13N3O3 — CID 113292982

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
SMILESCOc1cc(OC)nc(Oc2ccc(N)cc2)n1
InChIInChI=1S/C12H13N3O3/c1-16-10-7-11(17-2)15-12(14-10)18-9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3
InChIKeyDMEAJNCWVMSSBH-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.87
Rot. Bonds4

About 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline

4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline (PubChem CID 113292982) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
PubChem CID113292982
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
SMILESCOc1cc(OC)nc(Oc2ccc(N)cc2)n1
InChIInChI=1S/C12H13N3O3/c1-16-10-7-11(17-2)15-12(14-10)18-9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3
InChIKeyDMEAJNCWVMSSBH-UHFFFAOYSA-N
XLogP1.87
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline 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

2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
2-[4-(chloromethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 139084188
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
CID 83140189
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007
N-[2-(4-aminophenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355315
2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
CID 139643232
4-(4-aminophenoxy)aniline
CID 161415647
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline (CID 113292982) is 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline is COc1cc(OC)nc(Oc2ccc(N)cc2)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline?
The InChIKey is DMEAJNCWVMSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-16-10-7-11(17-2)15-12(14-10)18-9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3.
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline?
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline has a molecular weight of 247.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 113292982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).