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

C25H21ClN4O4 — CID 1492052

IUPACN'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
SMILESCOc1ccc(-n2c(O)c(/C(=N/Cc3ccccc3Cl)Nc3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C25H21ClN4O4/c1-34-19-13-11-18(12-14-19)30-24(32)21(23(31)29-25(30)33)22(28-17-8-3-2-4-9-17)27-15-16-7-5-6-10-20(16)26/h2-14,32H,15H2,1H3,(H,27,28)(H,29,31,33)
InChIKeyQXTBYCXUKCNTCC-UHFFFAOYSA-N
MW476.92 g/mol
LogP3.95
Rot. Bonds6

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

N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide (PubChem CID 1492052) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
PubChem CID1492052
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC NameN'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
SMILESCOc1ccc(-n2c(O)c(/C(=N/Cc3ccccc3Cl)Nc3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C25H21ClN4O4/c1-34-19-13-11-18(12-14-19)30-24(32)21(23(31)29-25(30)33)22(28-17-8-3-2-4-9-17)27-15-16-7-5-6-10-20(16)26/h2-14,32H,15H2,1H3,(H,27,28)(H,29,31,33)
InChIKeyQXTBYCXUKCNTCC-UHFFFAOYSA-N
XLogP3.95
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 53.95
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'}

Analyze N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide (CID 1492052) is N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide is COc1ccc(-n2c(O)c(/C(=N/Cc3ccccc3Cl)Nc3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
The InChIKey is QXTBYCXUKCNTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c1-34-19-13-11-18(12-14-19)30-24(32)21(23(31)29-25(30)33)22(28-17-8-3-2-4-9-17)27-15-16-7-5-6-10-20(16)26/h2-14,32H,15H2,1H3,(H,27,28)(H,29,31,33).
What are the key properties of N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide?
N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide has a molecular weight of 476.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide is sourced from PubChem (CID 1492052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).