3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine

C8H9IN4 — CID 144888968

IUPAC3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN(C)c1ccn2ncc(I)c2n1
InChIInChI=1S/C8H9IN4/c1-12(2)7-3-4-13-8(11-7)6(9)5-10-13/h3-5H,1-2H3
InChIKeyZCOPFFZQAAAUDK-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.40
Rot. Bonds1

About 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine

3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 144888968) has the molecular formula C8H9IN4 and a molecular weight of 288.09 g/mol. Its IUPAC name is 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID144888968
Molecular FormulaC8H9IN4
Molecular Weight288.09 g/mol
Exact Mass287.99
IUPAC Name3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN(C)c1ccn2ncc(I)c2n1
InChIInChI=1S/C8H9IN4/c1-12(2)7-3-4-13-8(11-7)6(9)5-10-13/h3-5H,1-2H3
InChIKeyZCOPFFZQAAAUDK-UHFFFAOYSA-N
XLogP1.40
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-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

3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 175798682
5-iodo-N,N,6-trimethylpyridin-2-amine
CID 170247686
5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 141377483
N,3-dimethyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 166956715
N-[1-(3,5-difluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 175003528
3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
2-[[3,5-diamino-6-[[5-(dimethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-pyridinyl]amino]-3-hydroxypropanal
CID 91604493
5-[(3-hydroxy-3-methylbutyl)-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 156904494
N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122133688
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605
benzene;ethane;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 161288697
N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135728

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine (CID 144888968) is 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine is CN(C)c1ccn2ncc(I)c2n1.
What is the InChIKey of 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ZCOPFFZQAAAUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4/c1-12(2)7-3-4-13-8(11-7)6(9)5-10-13/h3-5H,1-2H3.
What are the key properties of 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine?
3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 288.09 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,N-dimethylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 144888968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).