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

C12H10ClN3O4 — CID 3788940

IUPAC5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cl)cc1/N=C/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN3O4/c1-20-9-3-2-6(13)4-8(9)14-5-7-10(17)15-12(19)16-11(7)18/h2-5H,1H3,(H3,15,16,17,18,19)/b14-5+
InChIKeyGTKWYNYXGWRTJH-LHHJGKSTSA-N
MW295.68 g/mol
LogP1.18
Rot. Bonds3

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

5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 3788940) has the molecular formula C12H10ClN3O4 and a molecular weight of 295.68 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID3788940
Molecular FormulaC12H10ClN3O4
Molecular Weight295.68 g/mol
Exact Mass295.04
IUPAC Name5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cl)cc1/N=C/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN3O4/c1-20-9-3-2-6(13)4-8(9)14-5-7-10(17)15-12(19)16-11(7)18/h2-5H,1H3,(H3,15,16,17,18,19)/b14-5+
InChIKeyGTKWYNYXGWRTJH-LHHJGKSTSA-N
XLogP1.18
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 3788940) is 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is COc1ccc(Cl)cc1/N=C/c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is GTKWYNYXGWRTJH-LHHJGKSTSA-N. The full InChI is InChI=1S/C12H10ClN3O4/c1-20-9-3-2-6(13)4-8(9)14-5-7-10(17)15-12(19)16-11(7)18/h2-5H,1H3,(H3,15,16,17,18,19)/b14-5+.
What are the key properties of 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 295.68 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3788940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).