1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C11H13N7 — CID 63220955

IUPAC1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cnn(Cc2nc(N)c3cnn(C)c3n2)c1
InChIInChI=1S/C11H13N7/c1-7-3-14-18(5-7)6-9-15-10(12)8-4-13-17(2)11(8)16-9/h3-5H,6H2,1-2H3,(H2,12,15,16)
InChIKeyUEECGAREXXXSBO-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.50
Rot. Bonds2

About 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220955) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220955
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cnn(Cc2nc(N)c3cnn(C)c3n2)c1
InChIInChI=1S/C11H13N7/c1-7-3-14-18(5-7)6-9-15-10(12)8-4-13-17(2)11(8)16-9/h3-5H,6H2,1-2H3,(H2,12,15,16)
InChIKeyUEECGAREXXXSBO-UHFFFAOYSA-N
XLogP0.50
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63220955) is 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cnn(Cc2nc(N)c3cnn(C)c3n2)c1.
What is the InChIKey of 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UEECGAREXXXSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-7-3-14-18(5-7)6-9-15-10(12)8-4-13-17(2)11(8)16-9/h3-5H,6H2,1-2H3,(H2,12,15,16).
What are the key properties of 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).