1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol

C15H17N7O — CID 45486130

IUPAC1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESNc1nn2cccnc2c1-c1cc(N2CCCC(O)C2)ncn1
InChIInChI=1S/C15H17N7O/c16-14-13(15-17-4-2-6-22(15)20-14)11-7-12(19-9-18-11)21-5-1-3-10(23)8-21/h2,4,6-7,9-10,23H,1,3,5,8H2,(H2,16,20)
InChIKeySBNGFGYSGYLMHT-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.73
Rot. Bonds2

About 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol

1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 45486130) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID45486130
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol
SMILESNc1nn2cccnc2c1-c1cc(N2CCCC(O)C2)ncn1
InChIInChI=1S/C15H17N7O/c16-14-13(15-17-4-2-6-22(15)20-14)11-7-12(19-9-18-11)21-5-1-3-10(23)8-21/h2,4,6-7,9-10,23H,1,3,5,8H2,(H2,16,20)
InChIKeySBNGFGYSGYLMHT-UHFFFAOYSA-N
XLogP0.73
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol (CID 45486130) is 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol is Nc1nn2cccnc2c1-c1cc(N2CCCC(O)C2)ncn1.
What is the InChIKey of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is SBNGFGYSGYLMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c16-14-13(15-17-4-2-6-22(15)20-14)11-7-12(19-9-18-11)21-5-1-3-10(23)8-21/h2,4,6-7,9-10,23H,1,3,5,8H2,(H2,16,20).
What are the key properties of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol?
1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 311.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 45486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).