5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

C19H23N3O5 — CID 3765531

IUPAC5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(CC)=N/Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O5/c1-5-7-22-18(24)16(17(23)21-19(22)25)15(6-2)20-11-12-8-13(26-3)10-14(9-12)27-4/h5,8-10,24H,1,6-7,11H2,2-4H3,(H,21,23,25)/b20-15+
InChIKeyFCDMEXYGCRXZML-HMMYKYKNSA-N
MW373.41 g/mol
LogP1.84
Rot. Bonds8

About 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione

5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 3765531) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID3765531
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(CC)=N/Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O5/c1-5-7-22-18(24)16(17(23)21-19(22)25)15(6-2)20-11-12-8-13(26-3)10-14(9-12)27-4/h5,8-10,24H,1,6-7,11H2,2-4H3,(H,21,23,25)/b20-15+
InChIKeyFCDMEXYGCRXZML-HMMYKYKNSA-N
XLogP1.84
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione (CID 3765531) is 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C(CC)=N/Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is FCDMEXYGCRXZML-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-5-7-22-18(24)16(17(23)21-19(22)25)15(6-2)20-11-12-8-13(26-3)10-14(9-12)27-4/h5,8-10,24H,1,6-7,11H2,2-4H3,(H,21,23,25)/b20-15+.
What are the key properties of 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione?
5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[(3,5-dimethoxyphenyl)methyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 3765531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).