6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine

C23H22N6O2 — CID 10364461

IUPAC6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2ccccc2Oc2nc(Nc3ccn[nH]3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H22N6O2/c1-2-6-17(7-3-1)18-8-4-5-9-19(18)31-23-26-21(25-20-10-11-24-28-20)16-22(27-23)29-12-14-30-15-13-29/h1-11,16H,12-15H2,(H2,24,25,26,27,28)
InChIKeyNJSHSJYQQAUEOC-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.24
Rot. Bonds6

About 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine

6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine (PubChem CID 10364461) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
PubChem CID10364461
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2ccccc2Oc2nc(Nc3ccn[nH]3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H22N6O2/c1-2-6-17(7-3-1)18-8-4-5-9-19(18)31-23-26-21(25-20-10-11-24-28-20)16-22(27-23)29-12-14-30-15-13-29/h1-11,16H,12-15H2,(H2,24,25,26,27,28)
InChIKeyNJSHSJYQQAUEOC-UHFFFAOYSA-N
XLogP4.24
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine (CID 10364461) is 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine is c1ccc(-c2ccccc2Oc2nc(Nc3ccn[nH]3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
The InChIKey is NJSHSJYQQAUEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-2-6-17(7-3-1)18-8-4-5-9-19(18)31-23-26-21(25-20-10-11-24-28-20)16-22(27-23)29-12-14-30-15-13-29/h1-11,16H,12-15H2,(H2,24,25,26,27,28).
What are the key properties of 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine?
6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine has a molecular weight of 414.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 10364461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).