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

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Related Compounds

4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-(furan-2-ylmethyl)amino]methyl]phenol
CID 71906638
N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133324480
4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(furan-2-yl)morpholine
CID 133347170
3-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 133374350
3-bromo-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 99803881
3-bromo-N-(1-cyclobutylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133417810
N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95129741
3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
CID 52883225
4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol
CID 133497383
3-bromo-N-[(3-fluorophenyl)-phenylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133350456
1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 73440653
N-[1-(furan-2-yl)ethyl]-N-trimethylsilyloctan-1-amine
CID 10402268

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).