1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H19N3O4 — CID 3794810

IUPAC1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\Cc1ccco1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-2-15(20-11-14-9-6-10-26-14)16-17(23)21-19(25)22(18(16)24)12-13-7-4-3-5-8-13/h3-10,24H,2,11-12H2,1H3,(H,21,23,25)/b20-15+
InChIKeyLYQRGLIMPRIMDZ-HMMYKYKNSA-N
MW353.38 g/mol
LogP2.28
Rot. Bonds6

About 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3794810) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3794810
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCC/C(=N\Cc1ccco1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-2-15(20-11-14-9-6-10-26-14)16-17(23)21-19(25)22(18(16)24)12-13-7-4-3-5-8-13/h3-10,24H,2,11-12H2,1H3,(H,21,23,25)/b20-15+
InChIKeyLYQRGLIMPRIMDZ-HMMYKYKNSA-N
XLogP2.28
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.28
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-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3794810) is 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CC/C(=N\Cc1ccco1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is LYQRGLIMPRIMDZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-15(20-11-14-9-6-10-26-14)16-17(23)21-19(25)22(18(16)24)12-13-7-4-3-5-8-13/h3-10,24H,2,11-12H2,1H3,(H,21,23,25)/b20-15+.
What are the key properties of 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3794810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).