5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C13H13N3O5 — CID 2286598

IUPAC5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1cc(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C13H13N3O5/c1-20-8-3-7(4-9(5-8)21-2)14-6-10-11(17)15-13(19)16-12(10)18/h3-6H,1-2H3,(H3,15,16,17,18,19)/b14-6+
InChIKeyQUYUXSYLWAQQFI-MKMNVTDBSA-N
MW291.26 g/mol
LogP0.54
Rot. Bonds4

About 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 2286598) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID2286598
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1cc(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C13H13N3O5/c1-20-8-3-7(4-9(5-8)21-2)14-6-10-11(17)15-13(19)16-12(10)18/h3-6H,1-2H3,(H3,15,16,17,18,19)/b14-6+
InChIKeyQUYUXSYLWAQQFI-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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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 2286598) is 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is COc1cc(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is QUYUXSYLWAQQFI-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-8-3-7(4-9(5-8)21-2)14-6-10-11(17)15-13(19)16-12(10)18/h3-6H,1-2H3,(H3,15,16,17,18,19)/b14-6+.
What are the key properties of 5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(3,5-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-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2286598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).