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

C18H18BrN7 — CID 133324480

IUPACN-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1nccn1Cc1ccccc1)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C18H18BrN7/c1-24(17-15-16(19)23-25(2)18(15)22-12-21-17)11-14-20-8-9-26(14)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyTZWIAHALSUZEOE-UHFFFAOYSA-N
MW412.30 g/mol
LogP3.01
Rot. Bonds5

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

N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133324480) has the molecular formula C18H18BrN7 and a molecular weight of 412.30 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133324480
Molecular FormulaC18H18BrN7
Molecular Weight412.30 g/mol
Exact Mass411.08
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1nccn1Cc1ccccc1)c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C18H18BrN7/c1-24(17-15-16(19)23-25(2)18(15)22-12-21-17)11-14-20-8-9-26(14)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyTZWIAHALSUZEOE-UHFFFAOYSA-N
XLogP3.01
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133324438
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-(furan-2-ylmethyl)amino]methyl]phenol
CID 71906638
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N,1,3-trimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 56898839
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-nitroaniline
CID 133324452
3-bromo-N-[1-(furan-2-yl)ethyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56805548
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
CID 133435764
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 133324480) is N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1nccn1Cc1ccccc1)c1ncnc2c1c(Br)nn2C.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is TZWIAHALSUZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN7/c1-24(17-15-16(19)23-25(2)18(15)22-12-21-17)11-14-20-8-9-26(14)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 412.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-3-bromo-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133324480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).