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

C18H15N5O6 — CID 137073995

IUPAC6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(C=NNc3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H15N5O6/c1-29-14-8-6-12(7-9-14)22-17(25)15(16(24)20-18(22)26)10-19-21-11-2-4-13(5-3-11)23(27)28/h2-10,21,25H,1H3,(H,20,24,26)
InChIKeyUHLAFULMOKDPGL-UHFFFAOYSA-N
MW397.35 g/mol
LogP1.59
Rot. Bonds6

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

6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (PubChem CID 137073995) has the molecular formula C18H15N5O6 and a molecular weight of 397.35 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
PubChem CID137073995
Molecular FormulaC18H15N5O6
Molecular Weight397.35 g/mol
Exact Mass397.10
IUPAC Name6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(C=NNc3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H15N5O6/c1-29-14-8-6-12(7-9-14)22-17(25)15(16(24)20-18(22)26)10-19-21-11-2-4-13(5-3-11)23(27)28/h2-10,21,25H,1H3,(H,20,24,26)
InChIKeyUHLAFULMOKDPGL-UHFFFAOYSA-N
XLogP1.59
TPSA151.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3113249
6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 137070827
2-hydroxy-N-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 1391445
6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2879727
N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135956875
8-[(2Z)-2-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
CID 137273846
5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 137074553
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
1-[[1-(3,4-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(4-methoxyphenyl)urea
CID 137073945
5-[(4-chloro-3-methoxyphenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 137070433
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
CID 2844600
methyl (2R)-2-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-(4-hydroxyphenyl)propanoate
CID 135957730

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione (CID 137073995) is 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(C=NNc3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
The InChIKey is UHLAFULMOKDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O6/c1-29-14-8-6-12(7-9-14)22-17(25)15(16(24)20-18(22)26)10-19-21-11-2-4-13(5-3-11)23(27)28/h2-10,21,25H,1H3,(H,20,24,26).
What are the key properties of 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione?
6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione has a molecular weight of 397.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137073995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).