2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide

C15H17BrN4O — CID 122354191

IUPAC2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2Br)nc(N(C)C)n1
InChIInChI=1S/C15H17BrN4O/c1-10-8-11(19-15(18-10)20(2)3)9-17-14(21)12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,17,21)
InChIKeyDBBYGVVEKABDTH-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.54
Rot. Bonds4

About 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide

2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide (PubChem CID 122354191) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
PubChem CID122354191
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2Br)nc(N(C)C)n1
InChIInChI=1S/C15H17BrN4O/c1-10-8-11(19-15(18-10)20(2)3)9-17-14(21)12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,17,21)
InChIKeyDBBYGVVEKABDTH-UHFFFAOYSA-N
XLogP2.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
CID 122354483
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-nitrobenzamide
CID 122354201
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122353954
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
3-(2-chlorophenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122354190
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
CID 119046367

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide (CID 122354191) is 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide is Cc1cc(CNC(=O)c2ccccc2Br)nc(N(C)C)n1.
What is the InChIKey of 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
The InChIKey is DBBYGVVEKABDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-8-11(19-15(18-10)20(2)3)9-17-14(21)12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3,(H,17,21).
What are the key properties of 2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.54, 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)-6-methylpyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 122354191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).