2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one

C5H6IN3O — CID 135480614

IUPAC2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1I
InChIInChI=1S/C5H6IN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyLIZYQAUQOBJSBC-UHFFFAOYSA-N
MW251.03 g/mol
LogP0.27
Rot. Bonds

About 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one

2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one (PubChem CID 135480614) has the molecular formula C5H6IN3O and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one
PubChem CID135480614
Molecular FormulaC5H6IN3O
Molecular Weight251.03 g/mol
Exact Mass250.96
IUPAC Name2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1I
InChIInChI=1S/C5H6IN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyLIZYQAUQOBJSBC-UHFFFAOYSA-N
XLogP0.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-iodo-6-propyl-1H-pyrimidin-4-one
CID 135449728
2-Amino-6-ethyl-5-iodo-4(3H)-pyrimidinone
CID 135480616
2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
5-Iodo-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135461937
N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 136201881
N'-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 137095207
2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 163527621
2-Amino-5-iodo-3,6-dimethylpyrimidin-4-one
CID 130154408
5-iodo-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136225794
2-(Dimethylamino)-5-iodo-6-methylpyrimidin-4(3H)-one
CID 136225953
2-amino-4-tert-butyl-5-iodo-1H-pyrimidin-6-one
CID 136256902
2-amino-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136257111

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one (CID 135480614) is 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1I.
What is the InChIKey of 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LIZYQAUQOBJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one?
2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 251.03 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135480614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).