N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide

C13H12IN3O2 — CID 163992406

IUPACN-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide
SMILESCN(I)C(=O)c1ccc(Cn2cnccc2=O)cc1
InChIInChI=1S/C13H12IN3O2/c1-16(14)13(19)11-4-2-10(3-5-11)8-17-9-15-7-6-12(17)18/h2-7,9H,8H2,1H3
InChIKeyUBTVZKVTRNPCHY-UHFFFAOYSA-N
MW369.16 g/mol
LogP1.71
Rot. Bonds3

About N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide

N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide (PubChem CID 163992406) has the molecular formula C13H12IN3O2 and a molecular weight of 369.16 g/mol. Its IUPAC name is N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide
PubChem CID163992406
Molecular FormulaC13H12IN3O2
Molecular Weight369.16 g/mol
Exact Mass369.00
IUPAC NameN-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide
SMILESCN(I)C(=O)c1ccc(Cn2cnccc2=O)cc1
InChIInChI=1S/C13H12IN3O2/c1-16(14)13(19)11-4-2-10(3-5-11)8-17-9-15-7-6-12(17)18/h2-7,9H,8H2,1H3
InChIKeyUBTVZKVTRNPCHY-UHFFFAOYSA-N
XLogP1.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
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

3-[[4-(dimethylaminosulfanyl)phenyl]methyl]pyrimidin-4-one
CID 166530382
3-[4-[(6-oxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76952602
ethane;molecular hydrogen;4-[(6-oxopyrimidin-1-yl)methyl]-N-propan-2-ylbenzamide;4-[(6-oxopyrimidin-1-yl)methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 166530447
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 102794596
3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 166530336
ethane;3-[[4-(1H-imidazol-5-yl)phenyl]methyl]pyrimidin-4-one;molecular hydrogen
CID 166530333
5-methyl-4-[(6-oxopyrimidin-1-yl)methyl]furan-2-carboxylic acid
CID 63770228
3-(3,3-dimethyl-2-oxobutyl)pyrimidin-4-one
CID 63769561
3-[(6-hydrazinyl-3-pyridinyl)methyl]pyrimidin-4-one
CID 63768858
3-propylpyrimidin-4-one
CID 115679465
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide?
The IUPAC name of N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide (CID 163992406) is N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide?
The canonical SMILES for N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide is CN(I)C(=O)c1ccc(Cn2cnccc2=O)cc1.
What is the InChIKey of N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide?
The InChIKey is UBTVZKVTRNPCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O2/c1-16(14)13(19)11-4-2-10(3-5-11)8-17-9-15-7-6-12(17)18/h2-7,9H,8H2,1H3.
What are the key properties of N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide?
N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide has a molecular weight of 369.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide is sourced from PubChem (CID 163992406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).