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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Related Compounds

2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135438441
2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 152552673
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
methyl 4-[(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)methyl-methylcarbamoyl]benzoate
CID 137150170
2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136501828
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
2-amino-7-fluoro-3H-quinazolin-4-one;vanadium
CID 160605565
2-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethoxysulfonyl]benzoic acid
CID 175694083
2-amino-3H-furo[2,3-d]pyrimidin-4-one
CID 13302347
2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135524101
2-amino-7-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292829
2-amino-8-deuterio-1,9-dihydropurin-6-one
CID 136912024

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).