3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine

C16H18N6 — CID 118740007

IUPAC3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(CN3CCCCC3c3ccncn3)cnn2c1
InChIInChI=1S/C16H18N6/c1-2-8-21(15(4-1)14-5-7-17-12-19-14)11-13-10-20-22-9-3-6-18-16(13)22/h3,5-7,9-10,12,15H,1-2,4,8,11H2
InChIKeyDSIJGROBWCQBPN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.25
Rot. Bonds3

About 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine

3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 118740007) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID118740007
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cnc2c(CN3CCCCC3c3ccncn3)cnn2c1
InChIInChI=1S/C16H18N6/c1-2-8-21(15(4-1)14-5-7-17-12-19-14)11-13-10-20-22-9-3-6-18-16(13)22/h3,5-7,9-10,12,15H,1-2,4,8,11H2
InChIKeyDSIJGROBWCQBPN-UHFFFAOYSA-N
XLogP2.25
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine (CID 118740007) is 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is c1cnc2c(CN3CCCCC3c3ccncn3)cnn2c1.
What is the InChIKey of 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DSIJGROBWCQBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-8-21(15(4-1)14-5-7-17-12-19-14)11-13-10-20-22-9-3-6-18-16(13)22/h3,5-7,9-10,12,15H,1-2,4,8,11H2.
What are the key properties of 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine?
3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118740007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).