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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Related Compounds

1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 163990677
1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine
CID 63355576
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
2-N-methyl-2-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83837840
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
CID 63205559
4-(3-chlorobutan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidine
CID 63203147
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
1-(4-methoxy-1-methylpyrazolo[3,4-b]pyridin-5-yl)propan-2-amine
CID 83889501
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474

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).