3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione

C12H11N3O3 — CID 135747333

IUPAC3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(/N=C/c2ccccc2O)c(=O)[nH]1
InChIInChI=1S/C12H11N3O3/c1-8-6-11(17)15(12(18)14-8)13-7-9-4-2-3-5-10(9)16/h2-7,16H,1H3,(H,14,18)/b13-7+
InChIKeyMIACJXLHTRPNPD-NTUHNPAUSA-N
MW245.24 g/mol
LogP0.43
Rot. Bonds2

About 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione

3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 135747333) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID135747333
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(/N=C/c2ccccc2O)c(=O)[nH]1
InChIInChI=1S/C12H11N3O3/c1-8-6-11(17)15(12(18)14-8)13-7-9-4-2-3-5-10(9)16/h2-7,16H,1H3,(H,14,18)/b13-7+
InChIKeyMIACJXLHTRPNPD-NTUHNPAUSA-N
XLogP0.43
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-2-(2-hydroxybenzylidenehydrazino)-6-methylpyrimidine
CID 135460298
1-[(2-hydroxybenzylidene)amino]-4,6-dimethyl-2(1H)-pyridinone
CID 135418699
2-Hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135471898
3-Hydroxybenzaldehyde (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
CID 46498878
6-[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 156021015
4,6-dimethyl-2-oxo-1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pyridine-3-carbonitrile
CID 135418720
2-(2-(4-Hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135470823
6-Amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 136908488
3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione
CID 139179083
1-[[(2-Hydroxyphenyl)methylene]amino]-4,6-dimethyl-2(1H)-pyridinone
CID 703664
6-[2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
CID 12004447
(Z)-4-chloro-5-(2-(2-hydroxybenzylidene)hydrazinyl)pyridazin-3(2H)-one
CID 135412277

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione (CID 135747333) is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(/N=C/c2ccccc2O)c(=O)[nH]1.
What is the InChIKey of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is MIACJXLHTRPNPD-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-6-11(17)15(12(18)14-8)13-7-9-4-2-3-5-10(9)16/h2-7,16H,1H3,(H,14,18)/b13-7+.
What are the key properties of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione?
3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 245.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135747333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).