6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide

C26H24N4O3 — CID 2721836

IUPAC6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
SMILESCc1cccc(C/N=C(\Nc2ccccc2)c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C26H24N4O3/c1-17-9-8-11-19(15-17)16-27-23(28-20-12-4-3-5-13-20)22-24(31)29-26(33)30(25(22)32)21-14-7-6-10-18(21)2/h3-15,32H,16H2,1-2H3,(H,27,28)(H,29,31,33)
InChIKeyJILNVVARRGYZJR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.91
Rot. Bonds5

About 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide

6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide (PubChem CID 2721836) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
PubChem CID2721836
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
SMILESCc1cccc(C/N=C(\Nc2ccccc2)c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c1
InChIInChI=1S/C26H24N4O3/c1-17-9-8-11-19(15-17)16-27-23(28-20-12-4-3-5-13-20)22-24(31)29-26(33)30(25(22)32)21-14-7-6-10-18(21)2/h3-15,32H,16H2,1-2H3,(H,27,28)(H,29,31,33)
InChIKeyJILNVVARRGYZJR-UHFFFAOYSA-N
XLogP3.91
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The IUPAC name of 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide (CID 2721836) is 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide.
What is the SMILES notation for 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The canonical SMILES for 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide is Cc1cccc(C/N=C(\Nc2ccccc2)c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The InChIKey is JILNVVARRGYZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-9-8-11-19(15-17)16-27-23(28-20-12-4-3-5-13-20)22-24(31)29-26(33)30(25(22)32)21-14-7-6-10-18(21)2/h3-15,32H,16H2,1-2H3,(H,27,28)(H,29,31,33).
What are the key properties of 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide has a molecular weight of 440.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-methylphenyl)-N'-[(3-methylphenyl)methyl]-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide is sourced from PubChem (CID 2721836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).