N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

C13H18BrN5 — CID 102637671

IUPACN-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1cnn2C)C1CCCCC1Br
InChIInChI=1S/C13H18BrN5/c1-18(11-6-4-3-5-10(11)14)12-9-7-17-19(2)13(9)16-8-15-12/h7-8,10-11H,3-6H2,1-2H3
InChIKeyZWKAGWPFFVJQGM-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.51
Rot. Bonds2

About N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 102637671) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID102637671
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC NameN-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1cnn2C)C1CCCCC1Br
InChIInChI=1S/C13H18BrN5/c1-18(11-6-4-3-5-10(11)14)12-9-7-17-19(2)13(9)16-8-15-12/h7-8,10-11H,3-6H2,1-2H3
InChIKeyZWKAGWPFFVJQGM-UHFFFAOYSA-N
XLogP2.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromocyclohexyl)-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

Related Compounds

N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637634
N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 80680258
N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 102637593
N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637670
N,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
CID 154582399
N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95599863
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 79703221
4-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidine
CID 166783555
N-cyclopropyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 79705738
N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
CID 102637591
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 102637671) is N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CN(c1ncnc2c1cnn2C)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZWKAGWPFFVJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-18(11-6-4-3-5-10(11)14)12-9-7-17-19(2)13(9)16-8-15-12/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 324.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 102637671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).