2-amino-5-iodo-3,6-dimethylpyrimidin-4-one

C6H8IN3O — CID 130154408

IUPAC2-amino-5-iodo-3,6-dimethylpyrimidin-4-one
SMILESCc1nc(N)n(C)c(=O)c1I
InChIInChI=1S/C6H8IN3O/c1-3-4(7)5(11)10(2)6(8)9-3/h1-2H3,(H2,8,9)
InChIKeyZHFOMPXNTRIRAV-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.28
Rot. Bonds

About 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one

2-amino-5-iodo-3,6-dimethylpyrimidin-4-one (PubChem CID 130154408) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-iodo-3,6-dimethylpyrimidin-4-one
PubChem CID130154408
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name2-amino-5-iodo-3,6-dimethylpyrimidin-4-one
SMILESCc1nc(N)n(C)c(=O)c1I
InChIInChI=1S/C6H8IN3O/c1-3-4(7)5(11)10(2)6(8)9-3/h1-2H3,(H2,8,9)
InChIKeyZHFOMPXNTRIRAV-UHFFFAOYSA-N
XLogP0.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-iodo-6-methyl-4-pyrimidinol
CID 135480614
5-Iodo-6-methylpyrimidin-4-ol
CID 135467448
2-Amino-3,5,6-trimethylpyrimidin-4-one
CID 2822937
2-amino-3,6-dimethylpyrimidin-4(3H)-one
CID 586932
2-(dimethylamino)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136175642
2-Amino-3,6-dimethylpyrimidin-4(3h)-one hydrochloride
CID 129769387
5-iodo-3,6-dimethyl-4(3H)-Pyrimidinone
CID 66342888
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
2,6-diamino-5-iodo-3-methylpyrimidin-4(3H)-one
CID 12896488
2-(dimethylamino)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136225224
5-iodo-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136225794

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one (CID 130154408) is 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one is Cc1nc(N)n(C)c(=O)c1I.
What is the InChIKey of 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one?
The InChIKey is ZHFOMPXNTRIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c1-3-4(7)5(11)10(2)6(8)9-3/h1-2H3,(H2,8,9).
What are the key properties of 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one?
2-amino-5-iodo-3,6-dimethylpyrimidin-4-one has a molecular weight of 265.05 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 130154408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).