3-(6-methoxypyrimidin-4-yl)oxyaniline

C11H11N3O2 — CID 66319653

IUPAC3-(6-methoxypyrimidin-4-yl)oxyaniline
SMILESCOc1cc(Oc2cccc(N)c2)ncn1
InChIInChI=1S/C11H11N3O2/c1-15-10-6-11(14-7-13-10)16-9-4-2-3-8(12)5-9/h2-7H,12H2,1H3
InChIKeyZWMNNAOPIJUXNQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds3

About 3-(6-methoxypyrimidin-4-yl)oxyaniline

3-(6-methoxypyrimidin-4-yl)oxyaniline (PubChem CID 66319653) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(6-methoxypyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-(6-methoxypyrimidin-4-yl)oxyaniline
PubChem CID66319653
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(6-methoxypyrimidin-4-yl)oxyaniline
SMILESCOc1cc(Oc2cccc(N)c2)ncn1
InChIInChI=1S/C11H11N3O2/c1-15-10-6-11(14-7-13-10)16-9-4-2-3-8(12)5-9/h2-7H,12H2,1H3
InChIKeyZWMNNAOPIJUXNQ-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'}

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Related Compounds

4-(Pyrimidin-2-yloxy)aniline
CID 1484610
Pyrimidine, 2-(4-(m-methoxyphenyl)-1-piperazinyl)-
CID 198996
4-Amino-2-(3-methoxyanilino)-5-pyrimidinecarbonitrile
CID 2816559
4-methoxy-N-(4-methyl-3-(3-methylbut-2-enyloxy)phenyl)pyrimidin-2-amine
CID 15956126
N-[2-(3-methoxyanilino)-4-pyrimidinyl]-N-(3-methoxyphenyl)amine
CID 16044634
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
CID 1886522
1-(3-Methoxyphenyl)-3-(4-methylpyrimidin-2-yl)urea
CID 6465781
N-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N'-(3-methoxyphenyl)guanidine
CID 16193175
6-butyl-4-N-ethyl-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 44526614
5-[(3,5-Dimethoxyanilino)methyl]pyrimidine-2,4-diamine
CID 45488314
2-N-(3-methoxyphenyl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 145985675

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrimidin-4-yl)oxyaniline?
The IUPAC name of 3-(6-methoxypyrimidin-4-yl)oxyaniline (CID 66319653) is 3-(6-methoxypyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 3-(6-methoxypyrimidin-4-yl)oxyaniline?
The canonical SMILES for 3-(6-methoxypyrimidin-4-yl)oxyaniline is COc1cc(Oc2cccc(N)c2)ncn1.
What is the InChIKey of 3-(6-methoxypyrimidin-4-yl)oxyaniline?
The InChIKey is ZWMNNAOPIJUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-10-6-11(14-7-13-10)16-9-4-2-3-8(12)5-9/h2-7H,12H2,1H3.
What are the key properties of 3-(6-methoxypyrimidin-4-yl)oxyaniline?
3-(6-methoxypyrimidin-4-yl)oxyaniline 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 3-(6-methoxypyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 66319653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).