2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide

C14H15BrN4O — CID 122354483

IUPAC2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
SMILESCN(C)c1nccc(CNC(=O)c2ccccc2Br)n1
InChIInChI=1S/C14H15BrN4O/c1-19(2)14-16-8-7-10(18-14)9-17-13(20)11-5-3-4-6-12(11)15/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyVUZODBWTTGDLJM-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.24
Rot. Bonds4

About 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide

2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide (PubChem CID 122354483) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
PubChem CID122354483
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
SMILESCN(C)c1nccc(CNC(=O)c2ccccc2Br)n1
InChIInChI=1S/C14H15BrN4O/c1-19(2)14-16-8-7-10(18-14)9-17-13(20)11-5-3-4-6-12(11)15/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyVUZODBWTTGDLJM-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 75400804
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
CID 122354488
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
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
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,5-dinitrobenzamide
CID 122354492
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122354385

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide (CID 122354483) is 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide is CN(C)c1nccc(CNC(=O)c2ccccc2Br)n1.
What is the InChIKey of 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide?
The InChIKey is VUZODBWTTGDLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(2)14-16-8-7-10(18-14)9-17-13(20)11-5-3-4-6-12(11)15/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide?
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide has a molecular weight of 335.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 122354483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).