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

C21H21N3O4 — CID 1491953

IUPAC6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCOc1ccccc1C/N=C(\C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H21N3O4/c1-13-8-10-16(11-9-13)24-20(26)18(19(25)23-21(24)27)14(2)22-12-15-6-4-5-7-17(15)28-3/h4-11,26H,12H2,1-3H3,(H,23,25,27)/b22-14+
InChIKeyCYMNYSKPZAMZOD-HYARGMPZSA-N
MW379.42 g/mol
LogP2.56
Rot. Bonds5

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

6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 1491953) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID1491953
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCOc1ccccc1C/N=C(\C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H21N3O4/c1-13-8-10-16(11-9-13)24-20(26)18(19(25)23-21(24)27)14(2)22-12-15-6-4-5-7-17(15)28-3/h4-11,26H,12H2,1-3H3,(H,23,25,27)/b22-14+
InChIKeyCYMNYSKPZAMZOD-HYARGMPZSA-N
XLogP2.56
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
CID 1491927
5-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3719384
6-hydroxy-N'-[(2-methoxyphenyl)methyl]-1-(2-methylphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
CID 1492042
methyl (2S)-2-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]-3-(1H-indol-3-yl)propanoate
CID 135912337
6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 933886
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 4270289
5-[C-ethyl-N-(1-phenylethyl)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3795366
5-(N-hexyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3769455
5-[N-[(2-chlorophenyl)methyl]-C-methylcarbonimidoyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1491921
N'-[(2-chlorophenyl)methyl]-6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
CID 1492052
[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
CID 5189325
5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3512890

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 1491953) is 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione is COc1ccccc1C/N=C(\C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is CYMNYSKPZAMZOD-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-8-10-16(11-9-13)24-20(26)18(19(25)23-21(24)27)14(2)22-12-15-6-4-5-7-17(15)28-3/h4-11,26H,12H2,1-3H3,(H,23,25,27)/b22-14+.
What are the key properties of 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1491953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).