N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

C12H18N6 — CID 50795389

IUPACN-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C12H18N6/c1-3-13-12-15-10-9(8-14-17(10)2)11(16-12)18-6-4-5-7-18/h8H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyZJYWOMGFHMGQFI-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.40
Rot. Bonds3

About N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 50795389) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID50795389
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C12H18N6/c1-3-13-12-15-10-9(8-14-17(10)2)11(16-12)18-6-4-5-7-18/h8H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyZJYWOMGFHMGQFI-UHFFFAOYSA-N
XLogP1.40
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 50795389) is N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is CCNc1nc(N2CCCC2)c2cnn(C)c2n1.
What is the InChIKey of N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ZJYWOMGFHMGQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-13-12-15-10-9(8-14-17(10)2)11(16-12)18-6-4-5-7-18/h8H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 246.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 50795389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).