4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline

C13H15N3O3 — CID 3429077

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline
SMILESCOc1cc(OC)nc(Oc2ccc(N)c(C)c2)n1
InChIInChI=1S/C13H15N3O3/c1-8-6-9(4-5-10(8)14)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,14H2,1-3H3
InChIKeyOJYVXGANKKXYJA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.18
Rot. Bonds4

About 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline

4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline (PubChem CID 3429077) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline
PubChem CID3429077
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline
SMILESCOc1cc(OC)nc(Oc2ccc(N)c(C)c2)n1
InChIInChI=1S/C13H15N3O3/c1-8-6-9(4-5-10(8)14)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,14H2,1-3H3
InChIKeyOJYVXGANKKXYJA-UHFFFAOYSA-N
XLogP2.18
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline (CID 3429077) is 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline is COc1cc(OC)nc(Oc2ccc(N)c(C)c2)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline?
The InChIKey is OJYVXGANKKXYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-6-9(4-5-10(8)14)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,14H2,1-3H3.
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline?
4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylaniline has a molecular weight of 261.28 g/mol, XLogP of 2.18, 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)oxy-2-methylaniline is sourced from PubChem (CID 3429077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).