5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C17H21N3O5 — CID 4565012

IUPAC5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cc(C/N=C(\C)c2c(O)n(C)c(=O)n(C)c2=O)cc(OC)c1
InChIInChI=1S/C17H21N3O5/c1-10(14-15(21)19(2)17(23)20(3)16(14)22)18-9-11-6-12(24-4)8-13(7-11)25-5/h6-8,21H,9H2,1-5H3/b18-10+
InChIKeyHNFNCVSSJANGLU-VCHYOVAHSA-N
MW347.37 g/mol
LogP0.82
Rot. Bonds5

About 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4565012) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4565012
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cc(C/N=C(\C)c2c(O)n(C)c(=O)n(C)c2=O)cc(OC)c1
InChIInChI=1S/C17H21N3O5/c1-10(14-15(21)19(2)17(23)20(3)16(14)22)18-9-11-6-12(24-4)8-13(7-11)25-5/h6-8,21H,9H2,1-5H3/b18-10+
InChIKeyHNFNCVSSJANGLU-VCHYOVAHSA-N
XLogP0.82
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 4565012) is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is COc1cc(C/N=C(\C)c2c(O)n(C)c(=O)n(C)c2=O)cc(OC)c1.
What is the InChIKey of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HNFNCVSSJANGLU-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10(14-15(21)19(2)17(23)20(3)16(14)22)18-9-11-6-12(24-4)8-13(7-11)25-5/h6-8,21H,9H2,1-5H3/b18-10+.
What are the key properties of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4565012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).