4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

C22H25N5O3 — CID 135933294

IUPAC4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C22H25N5O3/c1-25(15-17-6-3-2-4-7-17)16-18-14-20(28)24-22(23-18)27-11-9-26(10-12-27)21(29)19-8-5-13-30-19/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,24,28)
InChIKeyWIQVVYBWBSWKII-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.96
Rot. Bonds6

About 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135933294) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135933294
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C22H25N5O3/c1-25(15-17-6-3-2-4-7-17)16-18-14-20(28)24-22(23-18)27-11-9-26(10-12-27)21(29)19-8-5-13-30-19/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,24,28)
InChIKeyWIQVVYBWBSWKII-UHFFFAOYSA-N
XLogP1.96
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide
CID 647145
N-Benzyl-1-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 661575
1-Furan-2-ylmethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid phenethyl-amide
CID 1077343
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]furan-2-carboxamide
CID 18106531
2-[4-(2-furoyl)piperazin-1-yl]-3-phenylquinazolin-4(3H)-one
CID 3236029
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086
6-(3-Ethyl-4-methyl-phenylamino)-3-{4-[4-(furan-2-carbonyl)-piperazin-1-yl]-butyl}-1H-pyrimidine-2,4-dione
CID 11027239
2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-(furan-3-yl)-4-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11165177
N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-3-methylfuran-2-carboxamide
CID 16051586

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135933294) is 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is CN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WIQVVYBWBSWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25(15-17-6-3-2-4-7-17)16-18-14-20(28)24-22(23-18)27-11-9-26(10-12-27)21(29)19-8-5-13-30-19/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,24,28).
What are the key properties of 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 407.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135933294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).