6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione

C18H14N4O6 — CID 2879727

IUPAC6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O6/c1-28-12-7-8-14(15(9-12)22(26)27)19-10-13-16(23)20-18(25)21(17(13)24)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,20,23,25)/b19-10+
InChIKeyOQSUOHQDYVBCQV-VXLYETTFSA-N
MW382.33 g/mol
LogP1.90
Rot. Bonds5

About 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione

6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione (PubChem CID 2879727) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
PubChem CID2879727
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O6/c1-28-12-7-8-14(15(9-12)22(26)27)19-10-13-16(23)20-18(25)21(17(13)24)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,20,23,25)/b19-10+
InChIKeyOQSUOHQDYVBCQV-VXLYETTFSA-N
XLogP1.90
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

5-[(1,3-diethyl-6-nitro-2-oxobenzimidazol-5-yl)iminomethyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 137070529
6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 137070827
1-(4-fluorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844632
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844628
6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 137073995
5-(2,1,3-benzoxadiazol-4-yliminomethyl)-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 135652672
4-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 2879270
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946
6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
1-[[6-hydroxy-1-(3-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
CID 3753412
1-(4-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844616

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione (CID 2879727) is 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is OQSUOHQDYVBCQV-VXLYETTFSA-N. The full InChI is InChI=1S/C18H14N4O6/c1-28-12-7-8-14(15(9-12)22(26)27)19-10-13-16(23)20-18(25)21(17(13)24)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,20,23,25)/b19-10+.
What are the key properties of 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 382.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxy-2-nitrophenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 2879727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).