1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine

C13H19N5 — CID 63355576

IUPAC1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1ncnc2c1cnn2C)C1CC1
InChIInChI=1S/C13H19N5/c1-3-14-11(9-4-5-9)6-12-10-7-17-18(2)13(10)16-8-15-12/h7-9,11,14H,3-6H2,1-2H3
InChIKeyIWBMYTILEQJXMT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.29
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine

1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine (PubChem CID 63355576) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine
PubChem CID63355576
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1ncnc2c1cnn2C)C1CC1
InChIInChI=1S/C13H19N5/c1-3-14-11(9-4-5-9)6-12-10-7-17-18(2)13(10)16-8-15-12/h7-9,11,14H,3-6H2,1-2H3
InChIKeyIWBMYTILEQJXMT-UHFFFAOYSA-N
XLogP1.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine (CID 63355576) is 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine is CCNC(Cc1ncnc2c1cnn2C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine?
The InChIKey is IWBMYTILEQJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-14-11(9-4-5-9)6-12-10-7-17-18(2)13(10)16-8-15-12/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine?
1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethanamine is sourced from PubChem (CID 63355576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).