3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

C13H12BrN3O2 — CID 103916876

IUPAC3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrN3O2/c1-8-6-11(19-2)16-13(15-8)17-12(18)9-4-3-5-10(14)7-9/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyNXLLAVGQWAKTKP-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.81
Rot. Bonds3

About 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (PubChem CID 103916876) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
PubChem CID103916876
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrN3O2/c1-8-6-11(19-2)16-13(15-8)17-12(18)9-4-3-5-10(14)7-9/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyNXLLAVGQWAKTKP-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
6-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-carboxamide
CID 107603520
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (CID 103916876) is 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is COc1cc(C)nc(NC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The InChIKey is NXLLAVGQWAKTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-8-6-11(19-2)16-13(15-8)17-12(18)9-4-3-5-10(14)7-9/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide has a molecular weight of 322.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 103916876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).