1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H25N3O4 — CID 3717926

IUPAC1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(CC)=N/c2ccc(OCC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O4/c1-4-7-12-22-18(24)16(17(23)21-19(22)25)15(5-2)20-13-8-10-14(11-9-13)26-6-3/h8-11,24H,4-7,12H2,1-3H3,(H,21,23,25)/b20-15+
InChIKeyAXHUJODUMRIAKV-HMMYKYKNSA-N
MW359.43 g/mol
LogP2.97
Rot. Bonds8

About 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3717926) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3717926
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(CC)=N/c2ccc(OCC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O4/c1-4-7-12-22-18(24)16(17(23)21-19(22)25)15(5-2)20-13-8-10-14(11-9-13)26-6-3/h8-11,24H,4-7,12H2,1-3H3,(H,21,23,25)/b20-15+
InChIKeyAXHUJODUMRIAKV-HMMYKYKNSA-N
XLogP2.97
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3717926) is 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CCCCn1c(O)c(/C(CC)=N/c2ccc(OCC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is AXHUJODUMRIAKV-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-7-12-22-18(24)16(17(23)21-19(22)25)15(5-2)20-13-8-10-14(11-9-13)26-6-3/h8-11,24H,4-7,12H2,1-3H3,(H,21,23,25)/b20-15+.
What are the key properties of 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[N-(4-ethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3717926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).