2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide

C15H18BrN5O3 — CID 122253015

IUPAC2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2nc(OC)nc(N(C)C)n2)c1
InChIInChI=1S/C15H18BrN5O3/c1-21(2)14-18-12(19-15(20-14)24-4)8-17-13(22)10-7-9(23-3)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,22)
InChIKeyDLTZKPIGZRNVBV-UHFFFAOYSA-N
MW396.25 g/mol
LogP1.65
Rot. Bonds6

About 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide

2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide (PubChem CID 122253015) has the molecular formula C15H18BrN5O3 and a molecular weight of 396.25 g/mol. Its IUPAC name is 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
PubChem CID122253015
Molecular FormulaC15H18BrN5O3
Molecular Weight396.25 g/mol
Exact Mass395.06
IUPAC Name2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2nc(OC)nc(N(C)C)n2)c1
InChIInChI=1S/C15H18BrN5O3/c1-21(2)14-18-12(19-15(20-14)24-4)8-17-13(22)10-7-9(23-3)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,22)
InChIKeyDLTZKPIGZRNVBV-UHFFFAOYSA-N
XLogP1.65
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 121137596
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
CID 122298027
2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
CID 121122720
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122253028
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121137872

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide (CID 122253015) is 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2nc(OC)nc(N(C)C)n2)c1.
What is the InChIKey of 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide?
The InChIKey is DLTZKPIGZRNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O3/c1-21(2)14-18-12(19-15(20-14)24-4)8-17-13(22)10-7-9(23-3)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,22).
What are the key properties of 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide?
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide has a molecular weight of 396.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 122253015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).