4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline

C16H17N5O — CID 58917298

IUPAC4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
SMILESCc1nn(C)c(C)c1-c1cc(Oc2ccc(N)cc2)ncn1
InChIInChI=1S/C16H17N5O/c1-10-16(11(2)21(3)20-10)14-8-15(19-9-18-14)22-13-6-4-12(17)5-7-13/h4-9H,17H2,1-3H3
InChIKeyGOOQCRVUVQNCBF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.87
Rot. Bonds3

About 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline

4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline (PubChem CID 58917298) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
PubChem CID58917298
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
SMILESCc1nn(C)c(C)c1-c1cc(Oc2ccc(N)cc2)ncn1
InChIInChI=1S/C16H17N5O/c1-10-16(11(2)21(3)20-10)14-8-15(19-9-18-14)22-13-6-4-12(17)5-7-13/h4-9H,17H2,1-3H3
InChIKeyGOOQCRVUVQNCBF-UHFFFAOYSA-N
XLogP2.87
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?
The IUPAC name of 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline (CID 58917298) is 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline.
What is the SMILES notation for 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?
The canonical SMILES for 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline is Cc1nn(C)c(C)c1-c1cc(Oc2ccc(N)cc2)ncn1.
What is the InChIKey of 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?
The InChIKey is GOOQCRVUVQNCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-16(11(2)21(3)20-10)14-8-15(19-9-18-14)22-13-6-4-12(17)5-7-13/h4-9H,17H2,1-3H3.
What are the key properties of 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?
4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline has a molecular weight of 295.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline is sourced from PubChem (CID 58917298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).