6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione

C16H15N3O3 — CID 135450529

IUPAC6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=C/C=N/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H15N3O3/c1-2-11-19-15(21)13(14(20)18-16(19)22)9-6-10-17-12-7-4-3-5-8-12/h2-10,21H,1,11H2,(H,18,20,22)/b9-6+,17-10+
InChIKeyISMAKNFEHBDGJK-PNTUOKEUSA-N
MW297.31 g/mol
LogP1.84
Rot. Bonds5

About 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione

6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 135450529) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID135450529
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=C/C=N/c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H15N3O3/c1-2-11-19-15(21)13(14(20)18-16(19)22)9-6-10-17-12-7-4-3-5-8-12/h2-10,21H,1,11H2,(H,18,20,22)/b9-6+,17-10+
InChIKeyISMAKNFEHBDGJK-PNTUOKEUSA-N
XLogP1.84
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione (CID 135450529) is 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C=C/C=N/c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is ISMAKNFEHBDGJK-PNTUOKEUSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-11-19-15(21)13(14(20)18-16(19)22)9-6-10-17-12-7-4-3-5-8-12/h2-10,21H,1,11H2,(H,18,20,22)/b9-6+,17-10+.
What are the key properties of 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 297.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-3-phenyliminoprop-1-enyl]-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 135450529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).