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

C7H8IN5O — CID 137316542

IUPAC2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(CNI)c2c(=O)[nH]1
InChIInChI=1S/C7H8IN5O/c8-11-2-3-1-10-5-4(3)6(14)13-7(9)12-5/h1,11H,2H2,(H4,9,10,12,13,14)
InChIKeyLGCGGRPNXNYUSQ-UHFFFAOYSA-N
MW305.08 g/mol
LogP0.27
Rot. Bonds2

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

2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137316542) has the molecular formula C7H8IN5O and a molecular weight of 305.08 g/mol. Its IUPAC name is 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137316542
Molecular FormulaC7H8IN5O
Molecular Weight305.08 g/mol
Exact Mass304.98
IUPAC Name2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(CNI)c2c(=O)[nH]1
InChIInChI=1S/C7H8IN5O/c8-11-2-3-1-10-5-4(3)6(14)13-7(9)12-5/h1,11H,2H2,(H4,9,10,12,13,14)
InChIKeyLGCGGRPNXNYUSQ-UHFFFAOYSA-N
XLogP0.27
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137316542) is 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]cc(CNI)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is LGCGGRPNXNYUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN5O/c8-11-2-3-1-10-5-4(3)6(14)13-7(9)12-5/h1,11H,2H2,(H4,9,10,12,13,14).
What are the key properties of 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 305.08 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137316542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).