1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione

C22H23N3O5 — CID 1491927

IUPAC1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
SMILESCCOc1ccccc1-n1c(O)c(/C(C)=N/Cc2ccccc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O5/c1-4-30-18-12-8-6-10-16(18)25-21(27)19(20(26)24-22(25)28)14(2)23-13-15-9-5-7-11-17(15)29-3/h5-12,27H,4,13H2,1-3H3,(H,24,26,28)/b23-14+
InChIKeyWYMNBXTUGXRGKD-OEAKJJBVSA-N
MW409.44 g/mol
LogP2.65
Rot. Bonds7

About 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione

1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione (PubChem CID 1491927) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
PubChem CID1491927
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
SMILESCCOc1ccccc1-n1c(O)c(/C(C)=N/Cc2ccccc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O5/c1-4-30-18-12-8-6-10-16(18)25-21(27)19(20(26)24-22(25)28)14(2)23-13-15-9-5-7-11-17(15)29-3/h5-12,27H,4,13H2,1-3H3,(H,24,26,28)/b23-14+
InChIKeyWYMNBXTUGXRGKD-OEAKJJBVSA-N
XLogP2.65
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione (CID 1491927) is 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione is CCOc1ccccc1-n1c(O)c(/C(C)=N/Cc2ccccc2OC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is WYMNBXTUGXRGKD-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-30-18-12-8-6-10-16(18)25-21(27)19(20(26)24-22(25)28)14(2)23-13-15-9-5-7-11-17(15)29-3/h5-12,27H,4,13H2,1-3H3,(H,24,26,28)/b23-14+.
What are the key properties of 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 409.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1491927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).