pyrazolo[1,5-a]pyrimidin-3-amine

C6H6N4 — CID 21192071

IUPACpyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cccnc12
InChIInChI=1S/C6H6N4/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H,7H2
InChIKeyQRSZMEQQBAGKPH-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.31
Rot. Bonds

About pyrazolo[1,5-a]pyrimidin-3-amine

pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 21192071) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID21192071
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Namepyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cccnc12
InChIInChI=1S/C6H6N4/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H,7H2
InChIKeyQRSZMEQQBAGKPH-UHFFFAOYSA-N
XLogP0.31
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-3-amine (CID 21192071) is pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2cccnc12.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is QRSZMEQQBAGKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-5-4-9-10-3-1-2-8-6(5)10/h1-4H,7H2.
What are the key properties of pyrazolo[1,5-a]pyrimidin-3-amine?
pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 134.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 21192071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).