2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one

C6H8IN3O — CID 163527621

IUPAC2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(NI)[nH]c(=O)c1C
InChIInChI=1S/C6H8IN3O/c1-3-4(2)8-6(10-7)9-5(3)11/h1-2H3,(H2,8,9,10,11)
InChIKeyDQCQNBHNGYRCFD-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.15
Rot. Bonds1

About 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one

2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 163527621) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID163527621
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(NI)[nH]c(=O)c1C
InChIInChI=1S/C6H8IN3O/c1-3-4(2)8-6(10-7)9-5(3)11/h1-2H3,(H2,8,9,10,11)
InChIKeyDQCQNBHNGYRCFD-UHFFFAOYSA-N
XLogP1.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
5,6-Dimethylisocytosine
CID 135402388
Pirimicarb-desamido
CID 135420611
2-Amino-5-iodo-6-methyl-4-pyrimidinol
CID 135480614
2-Amino-3,5,6-trimethylpyrimidin-4-one
CID 2822937
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135845994
2-Amino-6-methyl-5-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135955182
2,6-Diamino-5-methylpyrimidin-4(1H)-one
CID 135413061
2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-1,1-dimethyl-guanidine
CID 135428300
2-amino-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135431425
5,6-Dimethyl-4-hydroxy-2-methoxypyrimidine
CID 135803836
2-(Ethylamino)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135581387

Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one (CID 163527621) is 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(NI)[nH]c(=O)c1C.
What is the InChIKey of 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is DQCQNBHNGYRCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c1-3-4(2)8-6(10-7)9-5(3)11/h1-2H3,(H2,8,9,10,11).
What are the key properties of 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 265.05 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 163527621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).