4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine

C11H10N6 — CID 166627715

IUPAC4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine
SMILESNc1cc(-c2ccn3nccc3n2)cc(N)n1
InChIInChI=1S/C11H10N6/c12-9-5-7(6-10(13)16-9)8-2-4-17-11(15-8)1-3-14-17/h1-6H,(H4,12,13,16)
InChIKeyYGWNWLSYZQYYSM-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.96
Rot. Bonds1

About 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine

4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine (PubChem CID 166627715) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine
PubChem CID166627715
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine
SMILESNc1cc(-c2ccn3nccc3n2)cc(N)n1
InChIInChI=1S/C11H10N6/c12-9-5-7(6-10(13)16-9)8-2-4-17-11(15-8)1-3-14-17/h1-6H,(H4,12,13,16)
InChIKeyYGWNWLSYZQYYSM-UHFFFAOYSA-N
XLogP0.96
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine?
The IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine (CID 166627715) is 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine is Nc1cc(-c2ccn3nccc3n2)cc(N)n1.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine?
The InChIKey is YGWNWLSYZQYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-9-5-7(6-10(13)16-9)8-2-4-17-11(15-8)1-3-14-17/h1-6H,(H4,12,13,16).
What are the key properties of 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine?
4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine has a molecular weight of 226.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyrimidin-5-ylpyridine-2,6-diamine is sourced from PubChem (CID 166627715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).