1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine

C19H16N8O — CID 8540585

IUPAC1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Oc4cc(C)nc5ncnn45)ncnc32)c(C)c1
InChIInChI=1S/C19H16N8O/c1-11-4-5-15(12(2)6-11)26-17-14(8-23-26)18(21-9-20-17)28-16-7-13(3)25-19-22-10-24-27(16)19/h4-10H,1-3H3
InChIKeyMGZPPIOHYYWYAG-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.97
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine

1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine (PubChem CID 8540585) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine
PubChem CID8540585
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(Oc4cc(C)nc5ncnn45)ncnc32)c(C)c1
InChIInChI=1S/C19H16N8O/c1-11-4-5-15(12(2)6-11)26-17-14(8-23-26)18(21-9-20-17)28-16-7-13(3)25-19-22-10-24-27(16)19/h4-10H,1-3H3
InChIKeyMGZPPIOHYYWYAG-UHFFFAOYSA-N
XLogP2.97
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540480
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3850696
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 940192
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539459
N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4055936
1-(5-chloro-2-methylphenyl)-4-(2,4-dichlorophenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540874
1-(2,4-dimethylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4121418
1-(2,4-dimethylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 15955022
ethyl 2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 18561904
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine (CID 8540585) is 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(Oc4cc(C)nc5ncnn45)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine?
The InChIKey is MGZPPIOHYYWYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-11-4-5-15(12(2)6-11)26-17-14(8-23-26)18(21-9-20-17)28-16-7-13(3)25-19-22-10-24-27(16)19/h4-10H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine?
1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine has a molecular weight of 372.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8540585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).