3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide

C13H13BrN4O — CID 122298143

IUPAC3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C13H13BrN4O/c1-18(2)13-15-7-11(8-16-13)17-12(19)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H,17,19)
InChIKeyGHABRXUQJYKDBS-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.56
Rot. Bonds3

About 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide

3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide (PubChem CID 122298143) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
PubChem CID122298143
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(NC(=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C13H13BrN4O/c1-18(2)13-15-7-11(8-16-13)17-12(19)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H,17,19)
InChIKeyGHABRXUQJYKDBS-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
CID 150802976
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
3-bromo-N-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 110869733
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide (CID 122298143) is 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide is CN(C)c1ncc(NC(=O)c2cccc(Br)c2)cn1.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is GHABRXUQJYKDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-18(2)13-15-7-11(8-16-13)17-12(19)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide?
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 321.18 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122298143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).