2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine

C5H6IN5 — CID 150783600

IUPAC2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1CN(I)N2
InChIInChI=1S/C5H6IN5/c6-11-1-3-4(7)8-2-9-5(3)10-11/h2H,1H2,(H3,7,8,9,10)
InChIKeyKCJYFSQZVNZWAC-UHFFFAOYSA-N
MW263.04 g/mol
LogP0.55
Rot. Bonds

About 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine

2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 150783600) has the molecular formula C5H6IN5 and a molecular weight of 263.04 g/mol. Its IUPAC name is 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID150783600
Molecular FormulaC5H6IN5
Molecular Weight263.04 g/mol
Exact Mass262.97
IUPAC Name2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1CN(I)N2
InChIInChI=1S/C5H6IN5/c6-11-1-3-4(7)8-2-9-5(3)10-11/h2H,1H2,(H3,7,8,9,10)
InChIKeyKCJYFSQZVNZWAC-UHFFFAOYSA-N
XLogP0.55
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 82417454
5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
CID 83815401
5,8-dihydropyrimido[4,5-d]pyridazin-4-amine
CID 123187409
7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 146615715
5,6,7,8-tetrahydroquinazolin-4-amine
CID 45079028
5H-cyclopenta[d]pyrimidin-4-amine
CID 58158388
7-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 83846366
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
2-(4-fluorophenyl)-1,3-dihydropyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 66868423
7-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 135256977
7-methyl-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 158526538
5-iodothieno[2,3-d]pyrimidin-4-amine
CID 90178606

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine (CID 150783600) is 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1CN(I)N2.
What is the InChIKey of 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KCJYFSQZVNZWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN5/c6-11-1-3-4(7)8-2-9-5(3)10-11/h2H,1H2,(H3,7,8,9,10).
What are the key properties of 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine?
2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 263.04 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 150783600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).