2,4-di(pyrazol-1-yl)pyrimidine

C10H8N6 — CID 10680030

IUPAC2,4-di(pyrazol-1-yl)pyrimidine
SMILESc1cnn(-c2ccnc(-n3cccn3)n2)c1
InChIInChI=1S/C10H8N6/c1-4-12-15(7-1)9-3-6-11-10(14-9)16-8-2-5-13-16/h1-8H
InChIKeyMGIZVNWCIFAMCT-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.85
Rot. Bonds2

About 2,4-di(pyrazol-1-yl)pyrimidine

2,4-di(pyrazol-1-yl)pyrimidine (PubChem CID 10680030) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2,4-di(pyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-di(pyrazol-1-yl)pyrimidine
PubChem CID10680030
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2,4-di(pyrazol-1-yl)pyrimidine
SMILESc1cnn(-c2ccnc(-n3cccn3)n2)c1
InChIInChI=1S/C10H8N6/c1-4-12-15(7-1)9-3-6-11-10(14-9)16-8-2-5-13-16/h1-8H
InChIKeyMGIZVNWCIFAMCT-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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Related Compounds

Taminadenant
CID 53466958
1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
Pyrazolo(1,5-a)pyrimidine
CID 11636795
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
5-Methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415181
(E)-2-(2-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)vinyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90018333
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-Bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 53466961
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-Chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467826

Frequently Asked Questions

What is the IUPAC name of 2,4-di(pyrazol-1-yl)pyrimidine?
The IUPAC name of 2,4-di(pyrazol-1-yl)pyrimidine (CID 10680030) is 2,4-di(pyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2,4-di(pyrazol-1-yl)pyrimidine?
The canonical SMILES for 2,4-di(pyrazol-1-yl)pyrimidine is c1cnn(-c2ccnc(-n3cccn3)n2)c1.
What is the InChIKey of 2,4-di(pyrazol-1-yl)pyrimidine?
The InChIKey is MGIZVNWCIFAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-4-12-15(7-1)9-3-6-11-10(14-9)16-8-2-5-13-16/h1-8H.
What are the key properties of 2,4-di(pyrazol-1-yl)pyrimidine?
2,4-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 2,4-di(pyrazol-1-yl)pyrimidine is sourced from PubChem (CID 10680030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).