N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide

C14H15IN4O — CID 122354488

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
SMILESCN(C)c1nccc(CNC(=O)c2cccc(I)c2)n1
InChIInChI=1S/C14H15IN4O/c1-19(2)14-16-7-6-12(18-14)9-17-13(20)10-4-3-5-11(15)8-10/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyIWOURYAUDZAZRJ-UHFFFAOYSA-N
MW382.21 g/mol
LogP2.08
Rot. Bonds4

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide (PubChem CID 122354488) has the molecular formula C14H15IN4O and a molecular weight of 382.21 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
PubChem CID122354488
Molecular FormulaC14H15IN4O
Molecular Weight382.21 g/mol
Exact Mass382.03
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
SMILESCN(C)c1nccc(CNC(=O)c2cccc(I)c2)n1
InChIInChI=1S/C14H15IN4O/c1-19(2)14-16-7-6-12(18-14)9-17-13(20)10-4-3-5-11(15)8-10/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyIWOURYAUDZAZRJ-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 52.08
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

3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,5-dinitrobenzamide
CID 122354492
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
CID 122354483
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122354385
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 75400804
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 122354245
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide (CID 122354488) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide is CN(C)c1nccc(CNC(=O)c2cccc(I)c2)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide?
The InChIKey is IWOURYAUDZAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O/c1-19(2)14-16-7-6-12(18-14)9-17-13(20)10-4-3-5-11(15)8-10/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide has a molecular weight of 382.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide is sourced from PubChem (CID 122354488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).