N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

C12H16BrN5 — CID 80680258

IUPACN-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CC1CC(Br)C1)c1ncnc2c1cnn2C
InChIInChI=1S/C12H16BrN5/c1-17(6-8-3-9(13)4-8)11-10-5-16-18(2)12(10)15-7-14-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyWQYLPILRVSGHJG-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.97
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 80680258) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID80680258
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CC1CC(Br)C1)c1ncnc2c1cnn2C
InChIInChI=1S/C12H16BrN5/c1-17(6-8-3-9(13)4-8)11-10-5-16-18(2)12(10)15-7-14-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyWQYLPILRVSGHJG-UHFFFAOYSA-N
XLogP1.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclobutyl)methyl]-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,1-dimethyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine;dihydrochloride
CID 154582399
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 167919498
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
N-cyclopropyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 79705738
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 42887319
N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 79703221
2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
CID 43656383
N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 128981570
N-[(3-bromocyclobutyl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 80680032
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 80680258) is N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CN(CC1CC(Br)C1)c1ncnc2c1cnn2C.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WQYLPILRVSGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-17(6-8-3-9(13)4-8)11-10-5-16-18(2)12(10)15-7-14-11/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).