4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline

C19H22N6O2 — CID 58917079

IUPAC4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
SMILESNc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1
InChIInChI=1S/C19H22N6O2/c20-16-1-3-17(4-2-16)27-19-11-18(21-14-22-19)15-12-23-25(13-15)6-5-24-7-9-26-10-8-24/h1-4,11-14H,5-10,20H2
InChIKeyTXESHEMBMMAFHO-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.05
Rot. Bonds6

About 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline

4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline (PubChem CID 58917079) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
PubChem CID58917079
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
SMILESNc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1
InChIInChI=1S/C19H22N6O2/c20-16-1-3-17(4-2-16)27-19-11-18(21-14-22-19)15-12-23-25(13-15)6-5-24-7-9-26-10-8-24/h1-4,11-14H,5-10,20H2
InChIKeyTXESHEMBMMAFHO-UHFFFAOYSA-N
XLogP2.05
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
The IUPAC name of 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline (CID 58917079) is 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline.
What is the SMILES notation for 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
The canonical SMILES for 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline is Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1.
What is the InChIKey of 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
The InChIKey is TXESHEMBMMAFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c20-16-1-3-17(4-2-16)27-19-11-18(21-14-22-19)15-12-23-25(13-15)6-5-24-7-9-26-10-8-24/h1-4,11-14H,5-10,20H2.
What are the key properties of 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline has a molecular weight of 366.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline is sourced from PubChem (CID 58917079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).