2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide

C7H8IN3O2 — CID 12778118

IUPAC2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide
SMILESCn1cnc(NC(=O)CI)cc1=O
InChIInChI=1S/C7H8IN3O2/c1-11-4-9-5(2-7(11)13)10-6(12)3-8/h2,4H,3H2,1H3,(H,10,12)
InChIKeyGJSZFXPXMBMSEO-UHFFFAOYSA-N
MW293.06 g/mol
LogP0.15
Rot. Bonds2

About 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide

2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide (PubChem CID 12778118) has the molecular formula C7H8IN3O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide
PubChem CID12778118
Molecular FormulaC7H8IN3O2
Molecular Weight293.06 g/mol
Exact Mass292.97
IUPAC Name2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide
SMILESCn1cnc(NC(=O)CI)cc1=O
InChIInChI=1S/C7H8IN3O2/c1-11-4-9-5(2-7(11)13)10-6(12)3-8/h2,4H,3H2,1H3,(H,10,12)
InChIKeyGJSZFXPXMBMSEO-UHFFFAOYSA-N
XLogP0.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
1-(1-methyl-6-oxopyrimidin-4-yl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
CID 167935372
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
1-(1-methyl-6-oxopyrimidin-4-yl)-3-(5-oxaspiro[3.5]nonan-6-ylmethyl)urea
CID 154770422
N,N-dimethyl-1-[4-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 167743184
6-amino-3-methylpyrimidin-4-one;ethane
CID 155738630
2-bromo-N-(1-methylimidazol-4-yl)acetamide
CID 170992241
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728536
3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one
CID 129076949
6-[[(3S,5R)-4-benzyl-3-(hydroxymethyl)-5-methylmorpholin-3-yl]methylamino]-3-methylpyrimidin-4-one
CID 146115586
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide?
The IUPAC name of 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide (CID 12778118) is 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide is Cn1cnc(NC(=O)CI)cc1=O.
What is the InChIKey of 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide?
The InChIKey is GJSZFXPXMBMSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3O2/c1-11-4-9-5(2-7(11)13)10-6(12)3-8/h2,4H,3H2,1H3,(H,10,12).
What are the key properties of 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide?
2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide has a molecular weight of 293.06 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 12778118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).