1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5 — CID 43088482

IUPAC1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)C(C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5/c1-7(2)8(3)15-10-9-5-14-16(4)11(9)13-6-12-10/h5-8H,1-4H3,(H,12,13,15)
InChIKeyURDKLOWKPJEQLK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds3

About 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 43088482) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID43088482
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)C(C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5/c1-7(2)8(3)15-10-9-5-14-16(4)11(9)13-6-12-10/h5-8H,1-4H3,(H,12,13,15)
InChIKeyURDKLOWKPJEQLK-UHFFFAOYSA-N
XLogP1.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 43088482) is 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)C(C)Nc1ncnc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is URDKLOWKPJEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(2)8(3)15-10-9-5-14-16(4)11(9)13-6-12-10/h5-8H,1-4H3,(H,12,13,15).
What are the key properties of 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 43088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).