N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide

C15H18BrN5O — CID 133382429

IUPACN-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1nccc(N(C)C)n1
InChIInChI=1S/C15H18BrN5O/c1-10-8-11(16)4-5-12(10)19-14(22)9-18-15-17-7-6-13(20-15)21(2)3/h4-8H,9H2,1-3H3,(H,19,22)(H,17,18,20)
InChIKeyREQJJMIPPSWBIX-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.66
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide (PubChem CID 133382429) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide
PubChem CID133382429
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1nccc(N(C)C)n1
InChIInChI=1S/C15H18BrN5O/c1-10-8-11(16)4-5-12(10)19-14(22)9-18-15-17-7-6-13(20-15)21(2)3/h4-8H,9H2,1-3H3,(H,19,22)(H,17,18,20)
InChIKeyREQJJMIPPSWBIX-UHFFFAOYSA-N
XLogP2.66
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
CID 113000594
N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide
CID 31585343
N-(4-bromo-2-methylphenyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9195968
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
1-(2,4-dibromophenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027871
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide (CID 133382429) is N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide is Cc1cc(Br)ccc1NC(=O)CNc1nccc(N(C)C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide?
The InChIKey is REQJJMIPPSWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-10-8-11(16)4-5-12(10)19-14(22)9-18-15-17-7-6-13(20-15)21(2)3/h4-8H,9H2,1-3H3,(H,19,22)(H,17,18,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide has a molecular weight of 364.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 133382429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).