5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C21H24N6 — CID 44608767

IUPAC5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C(C)C)nc2n1
InChIInChI=1S/C21H24N6/c1-14(2)26-13-18(17-8-6-5-7-9-17)23-20(26)11-10-19-24-21-22-15(3)12-16(4)27(21)25-19/h5-9,12-14H,10-11H2,1-4H3
InChIKeyIYKCKOUTXZATNH-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.97
Rot. Bonds5

About 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 44608767) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID44608767
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C(C)C)nc2n1
InChIInChI=1S/C21H24N6/c1-14(2)26-13-18(17-8-6-5-7-9-17)23-20(26)11-10-19-24-21-22-15(3)12-16(4)27(21)25-19/h5-9,12-14H,10-11H2,1-4H3
InChIKeyIYKCKOUTXZATNH-UHFFFAOYSA-N
XLogP3.97
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 44608767) is 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C(C)C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IYKCKOUTXZATNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-14(2)26-13-18(17-8-6-5-7-9-17)23-20(26)11-10-19-24-21-22-15(3)12-16(4)27(21)25-19/h5-9,12-14H,10-11H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 360.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 44608767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).