N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5 — CID 63023995

IUPACN-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2CC(C)C
InChIInChI=1S/C11H17N5/c1-4-12-10-9-5-15-16(6-8(2)3)11(9)14-7-13-10/h5,7-8H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyWKKOSXULGPKLRS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.91
Rot. Bonds4

About N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63023995) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63023995
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2CC(C)C
InChIInChI=1S/C11H17N5/c1-4-12-10-9-5-15-16(6-8(2)3)11(9)14-7-13-10/h5,7-8H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyWKKOSXULGPKLRS-UHFFFAOYSA-N
XLogP1.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63023995) is N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1ncnc2c1cnn2CC(C)C.
What is the InChIKey of N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WKKOSXULGPKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-12-10-9-5-15-16(6-8(2)3)11(9)14-7-13-10/h5,7-8H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63023995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).