1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione

C20H19N3O3 — CID 747588

IUPAC1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccccc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-14(21-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)13-16-10-6-3-7-11-16/h2-11,25H,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeySOHCNIPFVGZOPI-KGENOOAVSA-N
MW349.39 g/mol
LogP2.30
Rot. Bonds5

About 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione

1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 747588) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID747588
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
SMILESC/C(=N\Cc1ccccc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-14(21-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)13-16-10-6-3-7-11-16/h2-11,25H,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeySOHCNIPFVGZOPI-KGENOOAVSA-N
XLogP2.30
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 937936
1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 1400115
1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 936497
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
CID 122606857
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 4270289
1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 1491924
5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3349937
1-benzyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812444
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 3540557
1-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3696348
1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135685287
5-[N-[(2-chlorophenyl)methyl]-C-methylcarbonimidoyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1491921

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione (CID 747588) is 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione is C/C(=N\Cc1ccccc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is SOHCNIPFVGZOPI-KGENOOAVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(21-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)13-16-10-6-3-7-11-16/h2-11,25H,12-13H2,1H3,(H,22,24,26)/b21-14+.
What are the key properties of 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 747588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).