N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H25N7 — CID 56890800

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2nc(C(C)C)nc3c2cnn3C)n1
InChIInChI=1S/C17H25N7/c1-10(2)15-20-16(14-8-18-23(6)17(14)21-15)19-12(4)9-24-13(5)7-11(3)22-24/h7-8,10,12H,9H2,1-6H3,(H,19,20,21)
InChIKeyIWOPOYFQHUUPHI-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56890800) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56890800
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)n(CC(C)Nc2nc(C(C)C)nc3c2cnn3C)n1
InChIInChI=1S/C17H25N7/c1-10(2)15-20-16(14-8-18-23(6)17(14)21-15)19-12(4)9-24-13(5)7-11(3)22-24/h7-8,10,12H,9H2,1-6H3,(H,19,20,21)
InChIKeyIWOPOYFQHUUPHI-UHFFFAOYSA-N
XLogP2.80
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56890800) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(C)n(CC(C)Nc2nc(C(C)C)nc3c2cnn3C)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IWOPOYFQHUUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-10(2)15-20-16(14-8-18-23(6)17(14)21-15)19-12(4)9-24-13(5)7-11(3)22-24/h7-8,10,12H,9H2,1-6H3,(H,19,20,21).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56890800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).