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

C21H20N6O3S — CID 155521865

IUPAC4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine
SMILESCc1ncc(-c2ccn3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C21H20N6O3S/c1-15-22-12-17(13-23-15)20-5-6-27-21(25-20)19(14-24-27)16-3-2-4-18(11-16)31(28,29)26-7-9-30-10-8-26/h2-6,11-14H,7-10H2,1H3
InChIKeyDUHRWVMGYDCAIT-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.18
Rot. Bonds4

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

4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine (PubChem CID 155521865) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine
PubChem CID155521865
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine
SMILESCc1ncc(-c2ccn3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C21H20N6O3S/c1-15-22-12-17(13-23-15)20-5-6-27-21(25-20)19(14-24-27)16-3-2-4-18(11-16)31(28,29)26-7-9-30-10-8-26/h2-6,11-14H,7-10H2,1H3
InChIKeyDUHRWVMGYDCAIT-UHFFFAOYSA-N
XLogP2.18
TPSA102.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine (CID 155521865) is 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine is Cc1ncc(-c2ccn3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cn1.
What is the InChIKey of 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine?
The InChIKey is DUHRWVMGYDCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-15-22-12-17(13-23-15)20-5-6-27-21(25-20)19(14-24-27)16-3-2-4-18(11-16)31(28,29)26-7-9-30-10-8-26/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine?
4-[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfonylmorpholine has a molecular weight of 436.50 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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]sulfonylmorpholine is sourced from PubChem (CID 155521865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).