N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide

C6H6I2N4O — CID 143245803

IUPACN-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ncnc(I)c1NI
InChIInChI=1S/C6H6I2N4O/c1-3(13)11-6-4(12-8)5(7)9-2-10-6/h2,12H,1H3,(H,9,10,11,13)
InChIKeyGVFFFJIRYFTUEE-UHFFFAOYSA-N
MW403.95 g/mol
LogP1.80
Rot. Bonds2

About N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide

N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide (PubChem CID 143245803) has the molecular formula C6H6I2N4O and a molecular weight of 403.95 g/mol. Its IUPAC name is N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide
PubChem CID143245803
Molecular FormulaC6H6I2N4O
Molecular Weight403.95 g/mol
Exact Mass403.86
IUPAC NameN-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1ncnc(I)c1NI
InChIInChI=1S/C6H6I2N4O/c1-3(13)11-6-4(12-8)5(7)9-2-10-6/h2,12H,1H3,(H,9,10,11,13)
InChIKeyGVFFFJIRYFTUEE-UHFFFAOYSA-N
XLogP1.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 51.80
H-Bond Donors ≤ 52
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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Related Compounds

6-acetamido-5-fluoropyrimidine-4-carboxylic acid
CID 167727873
N-(4-acetamidopyrimidin-5-yl)acetamide
CID 130007487
N-(6-methyl-5-propylpyrimidin-4-yl)acetamide
CID 90706989
ethane;N-(5-methylpyrimidin-4-yl)acetamide
CID 144640649
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
CID 141390191
6-iodo-5-methylpyrimidine-4-carbonyl iodide
CID 163594114
N-(4-acetamido-1,2,5-oxadiazol-3-yl)acetamide
CID 654039
N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide
CID 143320733
N-[2,3,4,5-tetrafluoro-6-(iodoamino)phenyl]acetamide azide
CID 21191927
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
N-(3,5-diamino-2,4,6-triiodophenyl)acetamide
CID 88683947
N-[5-(4-fluorophenyl)-4-iodo-1H-pyrazol-3-yl]acetamide
CID 134202702

Frequently Asked Questions

What is the IUPAC name of N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide (CID 143245803) is N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide is CC(=O)Nc1ncnc(I)c1NI.
What is the InChIKey of N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide?
The InChIKey is GVFFFJIRYFTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6I2N4O/c1-3(13)11-6-4(12-8)5(7)9-2-10-6/h2,12H,1H3,(H,9,10,11,13).
What are the key properties of N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide?
N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide has a molecular weight of 403.95 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 143245803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).