6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione

C18H16N4O3 — CID 135472775

IUPAC6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione
SMILESCc1ccc(N/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H16N4O3/c1-12-7-9-13(10-8-12)21-19-11-15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h2-11,21,24H,1H3,(H,20,23,25)/b19-11+
InChIKeyAFZJECBXCLNGQH-YBFXNURJSA-N
MW336.35 g/mol
LogP1.99
Rot. Bonds4

About 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione

6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione (PubChem CID 135472775) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione
PubChem CID135472775
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione
SMILESCc1ccc(N/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H16N4O3/c1-12-7-9-13(10-8-12)21-19-11-15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h2-11,21,24H,1H3,(H,20,23,25)/b19-11+
InChIKeyAFZJECBXCLNGQH-YBFXNURJSA-N
XLogP1.99
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione (CID 135472775) is 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione is Cc1ccc(N/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is AFZJECBXCLNGQH-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-7-9-13(10-8-12)21-19-11-15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h2-11,21,24H,1H3,(H,20,23,25)/b19-11+.
What are the key properties of 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 336.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 135472775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).