3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine

C11H17N5 — CID 63197046

IUPAC3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
SMILESCC(C)C(N)Cc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5/c1-7(2)9(12)4-10-8-5-15-16(3)11(8)14-6-13-10/h5-7,9H,4,12H2,1-3H3
InChIKeyRXNAVRFOTHONCK-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds3

About 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine

3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine (PubChem CID 63197046) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
PubChem CID63197046
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
SMILESCC(C)C(N)Cc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5/c1-7(2)9(12)4-10-8-5-15-16(3)11(8)14-6-13-10/h5-7,9H,4,12H2,1-3H3
InChIKeyRXNAVRFOTHONCK-UHFFFAOYSA-N
XLogP0.89
TPSA69.62 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine (CID 63197046) is 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine is CC(C)C(N)Cc1ncnc2c1cnn2C.
What is the InChIKey of 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
The InChIKey is RXNAVRFOTHONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(2)9(12)4-10-8-5-15-16(3)11(8)14-6-13-10/h5-7,9H,4,12H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 63197046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).