2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C6H5IN4O — CID 163206466

IUPAC2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(I)cc2c(=O)[nH]1
InChIInChI=1S/C6H5IN4O/c7-3-1-2-4(9-3)10-6(8)11-5(2)12/h1H,(H4,8,9,10,11,12)
InChIKeyXJFXMHVTBHOFFE-UHFFFAOYSA-N
MW276.04 g/mol
LogP0.44
Rot. Bonds

About 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 163206466) has the molecular formula C6H5IN4O and a molecular weight of 276.04 g/mol. Its IUPAC name is 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID163206466
Molecular FormulaC6H5IN4O
Molecular Weight276.04 g/mol
Exact Mass275.95
IUPAC Name2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(I)cc2c(=O)[nH]1
InChIInChI=1S/C6H5IN4O/c7-3-1-2-4(9-3)10-6(8)11-5(2)12/h1H,(H4,8,9,10,11,12)
InChIKeyXJFXMHVTBHOFFE-UHFFFAOYSA-N
XLogP0.44
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 163206466) is 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(I)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is XJFXMHVTBHOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN4O/c7-3-1-2-4(9-3)10-6(8)11-5(2)12/h1H,(H4,8,9,10,11,12).
What are the key properties of 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 276.04 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163206466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).