2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H11IN4O — CID 135500041

IUPAC2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccc(I)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11IN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
InChIKeyGFFQSWANLMANPJ-UHFFFAOYSA-N
MW366.16 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135500041) has the molecular formula C13H11IN4O and a molecular weight of 366.16 g/mol. Its IUPAC name is 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135500041
Molecular FormulaC13H11IN4O
Molecular Weight366.16 g/mol
Exact Mass366.00
IUPAC Name2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccc(I)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11IN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
InChIKeyGFFQSWANLMANPJ-UHFFFAOYSA-N
XLogP2.03
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 52.03
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-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135500041) is 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccc(I)cc3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is GFFQSWANLMANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19).
What are the key properties of 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 366.16 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135500041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).