6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione

C14H15N3O4 — CID 2288258

IUPAC6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H15N3O4/c1-16-12(18)11(13(19)17(2)14(16)20)8-15-9-4-6-10(21-3)7-5-9/h4-8,18H,1-3H3/b15-8+
InChIKeySWTOGCOPKDAVQH-OVCLIPMQSA-N
MW289.29 g/mol
LogP0.55
Rot. Bonds3

About 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2288258) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2288258
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C14H15N3O4/c1-16-12(18)11(13(19)17(2)14(16)20)8-15-9-4-6-10(21-3)7-5-9/h4-8,18H,1-3H3/b15-8+
InChIKeySWTOGCOPKDAVQH-OVCLIPMQSA-N
XLogP0.55
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2288258) is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SWTOGCOPKDAVQH-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-12(18)11(13(19)17(2)14(16)20)8-15-9-4-6-10(21-3)7-5-9/h4-8,18H,1-3H3/b15-8+.
What are the key properties of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 289.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2288258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).