5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine

C15H16N6 — CID 138391857

IUPAC5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2cncnc2)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C15H16N6/c1-10-5-14(11-7-16-9-17-8-11)21-15(19-10)6-13(20-21)12-3-2-4-18-12/h5-9,12,18H,2-4H2,1H3
InChIKeyQYXXVKXGCONJRZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.92
Rot. Bonds2

About 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine

5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 138391857) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID138391857
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2cncnc2)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C15H16N6/c1-10-5-14(11-7-16-9-17-8-11)21-15(19-10)6-13(20-21)12-3-2-4-18-12/h5-9,12,18H,2-4H2,1H3
InChIKeyQYXXVKXGCONJRZ-UHFFFAOYSA-N
XLogP1.92
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine (CID 138391857) is 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2cncnc2)n2nc(C3CCCN3)cc2n1.
What is the InChIKey of 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QYXXVKXGCONJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-5-14(11-7-16-9-17-8-11)21-15(19-10)6-13(20-21)12-3-2-4-18-12/h5-9,12,18H,2-4H2,1H3.
What are the key properties of 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 280.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 138391857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).