6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione

C19H18N4O3 — CID 135679843

IUPAC6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\Nc1ccccc1C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O3/c1-12-8-6-7-11-15(12)22-21-13(2)16-17(24)20-19(26)23(18(16)25)14-9-4-3-5-10-14/h3-11,22,25H,1-2H3,(H,20,24,26)/b21-13+
InChIKeyPOHNKKNDWFSCLF-FYJGNVAPSA-N
MW350.38 g/mol
LogP2.38
Rot. Bonds4

About 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione

6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione (PubChem CID 135679843) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
PubChem CID135679843
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
SMILESC/C(=N\Nc1ccccc1C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N4O3/c1-12-8-6-7-11-15(12)22-21-13(2)16-17(24)20-19(26)23(18(16)25)14-9-4-3-5-10-14/h3-11,22,25H,1-2H3,(H,20,24,26)/b21-13+
InChIKeyPOHNKKNDWFSCLF-FYJGNVAPSA-N
XLogP2.38
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione
CID 4254295
5-[C-ethyl-N-(2-methylanilino)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3839935
5-(N-anilino-C-methylcarbonimidoyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3722604
N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
CID 3622738
5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 135606705
5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 917399
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 4270289
[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
CID 5189325
6-hydroxy-1-(3-methylphenyl)-5-[[(2-methylphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 136704981
6-hydroxy-5-[(E)-C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 135535942
5-[(E)-N-[2-(diethylamino)ethylamino]-C-methylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135842130
6-hydroxy-5-[C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 1400188

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione (CID 135679843) is 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione is C/C(=N\Nc1ccccc1C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is POHNKKNDWFSCLF-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-8-6-7-11-15(12)22-21-13(2)16-17(24)20-19(26)23(18(16)25)14-9-4-3-5-10-14/h3-11,22,25H,1-2H3,(H,20,24,26)/b21-13+.
What are the key properties of 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 135679843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).