6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide

C26H24N4O4 — CID 1492042

IUPAC6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
SMILESCOc1ccccc1C/N=C(\Nc1ccccc1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C26H24N4O4/c1-17-10-6-8-14-20(17)30-25(32)22(24(31)29-26(30)33)23(28-19-12-4-3-5-13-19)27-16-18-11-7-9-15-21(18)34-2/h3-15,32H,16H2,1-2H3,(H,27,28)(H,29,31,33)
InChIKeyGXWQMKFGPWEIBQ-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.61
Rot. Bonds6

About 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide

6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide (PubChem CID 1492042) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
PubChem CID1492042
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
SMILESCOc1ccccc1C/N=C(\Nc1ccccc1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C26H24N4O4/c1-17-10-6-8-14-20(17)30-25(32)22(24(31)29-26(30)33)23(28-19-12-4-3-5-13-19)27-16-18-11-7-9-15-21(18)34-2/h3-15,32H,16H2,1-2H3,(H,27,28)(H,29,31,33)
InChIKeyGXWQMKFGPWEIBQ-UHFFFAOYSA-N
XLogP3.61
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The IUPAC name of 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide (CID 1492042) is 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide.
What is the SMILES notation for 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The canonical SMILES for 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide is COc1ccccc1C/N=C(\Nc1ccccc1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The InChIKey is GXWQMKFGPWEIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-17-10-6-8-14-20(17)30-25(32)22(24(31)29-26(30)33)23(28-19-12-4-3-5-13-19)27-16-18-11-7-9-15-21(18)34-2/h3-15,32H,16H2,1-2H3,(H,27,28)(H,29,31,33).
What are the key properties of 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide has a molecular weight of 456.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide is sourced from PubChem (CID 1492042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).