1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea

C19H17N5O5 — CID 3753412

IUPAC1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
SMILESCOc1cccc(-n2c(O)c(C=NNC(=O)Nc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H17N5O5/c1-29-14-9-5-8-13(10-14)24-17(26)15(16(25)22-19(24)28)11-20-23-18(27)21-12-6-3-2-4-7-12/h2-11,26H,1H3,(H2,21,23,27)(H,22,25,28)
InChIKeyUVGPPZSVRUOBLM-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.40
Rot. Bonds5

About 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea

1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea (PubChem CID 3753412) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
PubChem CID3753412
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
SMILESCOc1cccc(-n2c(O)c(C=NNC(=O)Nc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H17N5O5/c1-29-14-9-5-8-13(10-14)24-17(26)15(16(25)22-19(24)28)11-20-23-18(27)21-12-6-3-2-4-7-12/h2-11,26H,1H3,(H2,21,23,27)(H,22,25,28)
InChIKeyUVGPPZSVRUOBLM-UHFFFAOYSA-N
XLogP1.40
TPSA137.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.40
H-Bond Donors ≤ 54
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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Related Compounds

1-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
CID 135752219
1-[(E)-(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3-phenylurea
CID 135822207
[[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]urea
CID 2024298
6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3113249
2-hydroxy-N-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 1391445
1-[(E)-[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]-3-phenylthiourea
CID 135821883
1-[(E)-[6-hydroxy-1-(4-iodophenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylthiourea
CID 135679603
1-[[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(4-methoxyphenyl)urea
CID 137073945
N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135956875
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236

Frequently Asked Questions

What is the IUPAC name of 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea (CID 3753412) is 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea is COc1cccc(-n2c(O)c(C=NNC(=O)Nc3ccccc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea?
The InChIKey is UVGPPZSVRUOBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-29-14-9-5-8-13(10-14)24-17(26)15(16(25)22-19(24)28)11-20-23-18(27)21-12-6-3-2-4-7-12/h2-11,26H,1H3,(H2,21,23,27)(H,22,25,28).
What are the key properties of 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea?
1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea has a molecular weight of 395.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 3753412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).