5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C22H23N3O6 — CID 4311680

IUPAC5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\c1cc(OC)ccc1OC)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O6/c1-5-16(23-17-12-15(30-3)10-11-18(17)31-4)19-20(26)24-22(28)25(21(19)27)13-6-8-14(29-2)9-7-13/h6-12,27H,5H2,1-4H3,(H,24,26,28)/b23-16+
InChIKeyKCNXVZSMGPVTHH-XQNSMLJCSA-N
MW425.44 g/mol
LogP2.79
Rot. Bonds7

About 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 4311680) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID4311680
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\c1cc(OC)ccc1OC)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23N3O6/c1-5-16(23-17-12-15(30-3)10-11-18(17)31-4)19-20(26)24-22(28)25(21(19)27)13-6-8-14(29-2)9-7-13/h6-12,27H,5H2,1-4H3,(H,24,26,28)/b23-16+
InChIKeyKCNXVZSMGPVTHH-XQNSMLJCSA-N
XLogP2.79
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[C-ethyl-N-(2-fluorophenyl)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3623610
5-[N-[3-(dimethylamino)phenyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3746400
5-[N-[2-(diethylamino)ethyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 559522
5-[N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3733132
5-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3719384
5-[C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3696701
N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide
CID 137230094
5-[C-ethyl-N-(3-imidazol-1-ylpropyl)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3827908
4-[2-[1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]ethyl]-N-methylpiperazine-1-carbothioamide
CID 3823420
5-(N-hexyl-C-methylcarbonimidoyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3769455
2-[(E)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]guanidine
CID 135684639
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223

Frequently Asked Questions

What is the IUPAC name of 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 4311680) is 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is CC/C(=N\c1cc(OC)ccc1OC)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is KCNXVZSMGPVTHH-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-5-16(23-17-12-15(30-3)10-11-18(17)31-4)19-20(26)24-22(28)25(21(19)27)13-6-8-14(29-2)9-7-13/h6-12,27H,5H2,1-4H3,(H,24,26,28)/b23-16+.
What are the key properties of 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 425.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(2,5-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4311680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).