2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide

C9H13IN6O2 — CID 89120109

IUPAC2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide
SMILESCN1C(=O)C(NCC(N)=O)=C(NI)N2CCN=C12
InChIInChI=1S/C9H13IN6O2/c1-15-8(18)6(13-4-5(11)17)7(14-10)16-3-2-12-9(15)16/h13-14H,2-4H2,1H3,(H2,11,17)
InChIKeyHAKHIBHNMHRZDT-UHFFFAOYSA-N
MW364.15 g/mol
LogP-1.69
Rot. Bonds4

About 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide

2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide (PubChem CID 89120109) has the molecular formula C9H13IN6O2 and a molecular weight of 364.15 g/mol. Its IUPAC name is 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide
PubChem CID89120109
Molecular FormulaC9H13IN6O2
Molecular Weight364.15 g/mol
Exact Mass364.01
IUPAC Name2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide
SMILESCN1C(=O)C(NCC(N)=O)=C(NI)N2CCN=C12
InChIInChI=1S/C9H13IN6O2/c1-15-8(18)6(13-4-5(11)17)7(14-10)16-3-2-12-9(15)16/h13-14H,2-4H2,1H3,(H2,11,17)
InChIKeyHAKHIBHNMHRZDT-UHFFFAOYSA-N
XLogP-1.69
TPSA103.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide?
The IUPAC name of 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide (CID 89120109) is 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide.
What is the SMILES notation for 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide?
The canonical SMILES for 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide is CN1C(=O)C(NCC(N)=O)=C(NI)N2CCN=C12.
What is the InChIKey of 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide?
The InChIKey is HAKHIBHNMHRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN6O2/c1-15-8(18)6(13-4-5(11)17)7(14-10)16-3-2-12-9(15)16/h13-14H,2-4H2,1H3,(H2,11,17).
What are the key properties of 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide?
2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide has a molecular weight of 364.15 g/mol, XLogP of -1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(iodoamino)-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]amino]acetamide is sourced from PubChem (CID 89120109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).