5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione

C19H19N3O4 — CID 3469751

IUPAC5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\Cc1ccco1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-3-14(20-11-13-8-6-10-26-13)16-17(23)21-19(25)22(18(16)24)15-9-5-4-7-12(15)2/h4-10,24H,3,11H2,1-2H3,(H,21,23,25)/b20-14+
InChIKeyZGJNASIXMGZJDU-XSFVSMFZSA-N
MW353.38 g/mol
LogP2.53
Rot. Bonds5

About 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione

5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 3469751) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID3469751
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\Cc1ccco1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-3-14(20-11-13-8-6-10-26-13)16-17(23)21-19(25)22(18(16)24)15-9-5-4-7-12(15)2/h4-10,24H,3,11H2,1-2H3,(H,21,23,25)/b20-14+
InChIKeyZGJNASIXMGZJDU-XSFVSMFZSA-N
XLogP2.53
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.53
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 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 3469751) is 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is CC/C(=N\Cc1ccco1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is ZGJNASIXMGZJDU-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-14(20-11-13-8-6-10-26-13)16-17(23)21-19(25)22(18(16)24)15-9-5-4-7-12(15)2/h4-10,24H,3,11H2,1-2H3,(H,21,23,25)/b20-14+.
What are the key properties of 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3469751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).