4,6-di(pyrazol-1-yl)pyrimidine

C10H8N6 — CID 3087487

IUPAC4,6-di(pyrazol-1-yl)pyrimidine
SMILESc1cnn(-c2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C10H8N6/c1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16/h1-8H
InChIKeyITORZLJASZQARK-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.85
Rot. Bonds2

About 4,6-di(pyrazol-1-yl)pyrimidine

4,6-di(pyrazol-1-yl)pyrimidine (PubChem CID 3087487) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4,6-di(pyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-di(pyrazol-1-yl)pyrimidine
PubChem CID3087487
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name4,6-di(pyrazol-1-yl)pyrimidine
SMILESc1cnn(-c2cc(-n3cccn3)ncn2)c1
InChIInChI=1S/C10H8N6/c1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16/h1-8H
InChIKeyITORZLJASZQARK-UHFFFAOYSA-N
XLogP0.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(pyrazol-1-yl)pyrimidine?
The IUPAC name of 4,6-di(pyrazol-1-yl)pyrimidine (CID 3087487) is 4,6-di(pyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4,6-di(pyrazol-1-yl)pyrimidine?
The canonical SMILES for 4,6-di(pyrazol-1-yl)pyrimidine is c1cnn(-c2cc(-n3cccn3)ncn2)c1.
What is the InChIKey of 4,6-di(pyrazol-1-yl)pyrimidine?
The InChIKey is ITORZLJASZQARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16/h1-8H.
What are the key properties of 4,6-di(pyrazol-1-yl)pyrimidine?
4,6-di(pyrazol-1-yl)pyrimidine has a molecular weight of 212.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(pyrazol-1-yl)pyrimidine is sourced from PubChem (CID 3087487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).