3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

C13H14BrN5O — CID 56805548

IUPAC3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(c1ccco1)N(C)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C13H14BrN5O/c1-8(9-5-4-6-20-9)18(2)12-10-11(14)17-19(3)13(10)16-7-15-12/h4-8H,1-3H3
InChIKeyUCFQBTIZOROGDD-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.92
Rot. Bonds3

About 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56805548) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56805548
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(c1ccco1)N(C)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C13H14BrN5O/c1-8(9-5-4-6-20-9)18(2)12-10-11(14)17-19(3)13(10)16-7-15-12/h4-8H,1-3H3
InChIKeyUCFQBTIZOROGDD-UHFFFAOYSA-N
XLogP2.92
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-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 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56805548) is 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CC(c1ccco1)N(C)c1ncnc2c1c(Br)nn2C.
What is the InChIKey of 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UCFQBTIZOROGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-8(9-5-4-6-20-9)18(2)12-10-11(14)17-19(3)13(10)16-7-15-12/h4-8H,1-3H3.
What are the key properties of 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 336.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56805548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).