5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

C21H20N6O — CID 155519660

IUPAC5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ncc(-c2ccn3ncc(-c4ccnc(C5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C21H20N6O/c1-14-23-11-17(12-24-14)19-3-7-27-21(26-19)18(13-25-27)16-2-6-22-20(10-16)15-4-8-28-9-5-15/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3
InChIKeyOMVFJMDXSOTOGH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.45
Rot. Bonds3

About 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155519660) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID155519660
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1ncc(-c2ccn3ncc(-c4ccnc(C5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C21H20N6O/c1-14-23-11-17(12-24-14)19-3-7-27-21(26-19)18(13-25-27)16-2-6-22-20(10-16)15-4-8-28-9-5-15/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3
InChIKeyOMVFJMDXSOTOGH-UHFFFAOYSA-N
XLogP3.45
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 155519660) is 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is Cc1ncc(-c2ccn3ncc(-c4ccnc(C5CCOCC5)c4)c3n2)cn1.
What is the InChIKey of 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OMVFJMDXSOTOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14-23-11-17(12-24-14)19-3-7-27-21(26-19)18(13-25-27)16-2-6-22-20(10-16)15-4-8-28-9-5-15/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3.
What are the key properties of 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 372.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-5-yl)-3-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155519660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).