5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C13H13N3O5 — CID 3248071

IUPAC5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H13N3O5/c1-20-7-3-4-10(21-2)9(5-7)14-6-8-11(17)15-13(19)16-12(8)18/h3-6H,1-2H3,(H3,15,16,17,18,19)/b14-6+
InChIKeyZWWJTZQNUWBUNU-MKMNVTDBSA-N
MW291.26 g/mol
LogP0.54
Rot. Bonds4

About 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 3248071) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID3248071
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H13N3O5/c1-20-7-3-4-10(21-2)9(5-7)14-6-8-11(17)15-13(19)16-12(8)18/h3-6H,1-2H3,(H3,15,16,17,18,19)/b14-6+
InChIKeyZWWJTZQNUWBUNU-MKMNVTDBSA-N
XLogP0.54
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2286598
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]phenoxy]phenyl]iminomethyl]-1H-pyrimidine-2,4-dione
CID 4092805
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
4-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
CID 3431171
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1,3-bis(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 4679901
2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135432540
dimethyl 5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzene-1,3-dicarboxylate
CID 2289598

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 3248071) is 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is COc1ccc(OC)c(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is ZWWJTZQNUWBUNU-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-7-3-4-10(21-2)9(5-7)14-6-8-11(17)15-13(19)16-12(8)18/h3-6H,1-2H3,(H3,15,16,17,18,19)/b14-6+.
What are the key properties of 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 291.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3248071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).