6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione

C20H19N3O3 — CID 4270289

IUPAC6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\CCc1ccccc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h2-11,25H,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeyZJUOTQAZFUFHSO-KGENOOAVSA-N
MW349.39 g/mol
LogP2.28
Rot. Bonds5

About 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione

6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione (PubChem CID 4270289) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
PubChem CID4270289
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\CCc1ccccc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h2-11,25H,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeyZJUOTQAZFUFHSO-KGENOOAVSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione (CID 4270289) is 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione is C/C(=N\CCc1ccccc1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is ZJUOTQAZFUFHSO-KGENOOAVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)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 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 4270289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).