N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide

C21H21BrN4O2 — CID 70676682

IUPACN-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1nc(NCc2ccccc2)n(CC(=O)NCc2ccccc2)c(=O)c1Br
InChIInChI=1S/C21H21BrN4O2/c1-15-19(22)20(28)26(14-18(27)23-12-16-8-4-2-5-9-16)21(25-15)24-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyZLLQKWPNFOJRGG-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.24
Rot. Bonds7

About N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 70676682) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID70676682
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC NameN-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCc1nc(NCc2ccccc2)n(CC(=O)NCc2ccccc2)c(=O)c1Br
InChIInChI=1S/C21H21BrN4O2/c1-15-19(22)20(28)26(14-18(27)23-12-16-8-4-2-5-9-16)21(25-15)24-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyZLLQKWPNFOJRGG-UHFFFAOYSA-N
XLogP3.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66309191
N-benzyl-2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 985871
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
CID 82099380
N-[(3-bromophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368578
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 70676682) is N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1nc(NCc2ccccc2)n(CC(=O)NCc2ccccc2)c(=O)c1Br.
What is the InChIKey of N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is ZLLQKWPNFOJRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c1-15-19(22)20(28)26(14-18(27)23-12-16-8-4-2-5-9-16)21(25-15)24-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 441.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 70676682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).