4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine

C22H22N6O — CID 155522306

IUPAC4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
SMILESCc1ncc(-c2ccn3ncc(-c4cccc(CN5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C22H22N6O/c1-16-23-12-19(13-24-16)21-5-6-28-22(26-21)20(14-25-28)18-4-2-3-17(11-18)15-27-7-9-29-10-8-27/h2-6,11-14H,7-10,15H2,1H3
InChIKeyIMCWGJKPUBGRID-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.99
Rot. Bonds4

About 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine

4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine (PubChem CID 155522306) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
PubChem CID155522306
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
SMILESCc1ncc(-c2ccn3ncc(-c4cccc(CN5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C22H22N6O/c1-16-23-12-19(13-24-16)21-5-6-28-22(26-21)20(14-25-28)18-4-2-3-17(11-18)15-27-7-9-29-10-8-27/h2-6,11-14H,7-10,15H2,1H3
InChIKeyIMCWGJKPUBGRID-UHFFFAOYSA-N
XLogP2.99
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

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CID 54576073
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CID 9953906
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CID 25260915
CID 25260915
CID 25261231
CID 25261231
CID 44233160
CID 44233160
CID 44233640
CID 44233640
CID 60182389
CID 60182389
CID 10042950
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CID 21066379
CID 21066379

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine (CID 155522306) is 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine is Cc1ncc(-c2ccn3ncc(-c4cccc(CN5CCOCC5)c4)c3n2)cn1.
What is the InChIKey of 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine?
The InChIKey is IMCWGJKPUBGRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-16-23-12-19(13-24-16)21-5-6-28-22(26-21)20(14-25-28)18-4-2-3-17(11-18)15-27-7-9-29-10-8-27/h2-6,11-14H,7-10,15H2,1H3.
What are the key properties of 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine?
4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine has a molecular weight of 386.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 155522306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).