1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione

C20H20N4O4 — CID 1226970

IUPAC1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(NN=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12-4-7-15(10-13(12)2)24-19(26)17(18(25)22-20(24)27)11-21-23-14-5-8-16(28-3)9-6-14/h4-11,23,26H,1-3H3,(H,22,25,27)
InChIKeyWACXDGYACVJVRW-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.30
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione

1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (PubChem CID 1226970) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
PubChem CID1226970
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(NN=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12-4-7-15(10-13(12)2)24-19(26)17(18(25)22-20(24)27)11-21-23-14-5-8-16(28-3)9-6-14/h4-11,23,26H,1-3H3,(H,22,25,27)
InChIKeyWACXDGYACVJVRW-UHFFFAOYSA-N
XLogP2.30
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (CID 1226970) is 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is COc1ccc(NN=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The InChIKey is WACXDGYACVJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12-4-7-15(10-13(12)2)24-19(26)17(18(25)22-20(24)27)11-21-23-14-5-8-16(28-3)9-6-14/h4-11,23,26H,1-3H3,(H,22,25,27).
What are the key properties of 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1226970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).