6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione

C11H9N3O5 — CID 112599075

IUPAC6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9N3O5/c1-6-9(15)12-11(17)13(10(6)16)7-3-2-4-8(5-7)14(18)19/h2-5,16H,1H3,(H,12,15,17)
InChIKeySCMOZXZPYOSVIZ-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.45
Rot. Bonds2

About 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione (PubChem CID 112599075) has the molecular formula C11H9N3O5 and a molecular weight of 263.21 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione
PubChem CID112599075
Molecular FormulaC11H9N3O5
Molecular Weight263.21 g/mol
Exact Mass263.05
IUPAC Name6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H9N3O5/c1-6-9(15)12-11(17)13(10(6)16)7-3-2-4-8(5-7)14(18)19/h2-5,16H,1H3,(H,12,15,17)
InChIKeySCMOZXZPYOSVIZ-UHFFFAOYSA-N
XLogP0.45
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115947678
2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 635208
1-[3-(dimethylamino)phenyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112601410
4-hydroxy-3-(3-nitrophenyl)-1H-imidazol-2-one
CID 90721926
6-hydroxy-5-methyl-1-naphthalen-2-ylpyrimidine-2,4-dione
CID 115947092
5-nitro-1-(3-nitrophenyl)pyrimidine-2,4-dione
CID 12988764
7-nitro-10-(3-nitrophenyl)pyrimido[4,5-b]quinoline-2,4-dione
CID 3125059
2-[3-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 28690488
3-(aminomethyl)-4-(3-nitrophenyl)-1H-1,2,4-triazol-5-one
CID 81488448
4-hydroxy-3-(3-nitrophenyl)-1,3-thiazole-2-thione
CID 57100803
1-(3-nitrophenyl)azetidine
CID 58663764
1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione (CID 112599075) is 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione is Cc1c(O)n(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione?
The InChIKey is SCMOZXZPYOSVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5/c1-6-9(15)12-11(17)13(10(6)16)7-3-2-4-8(5-7)14(18)19/h2-5,16H,1H3,(H,12,15,17).
What are the key properties of 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione has a molecular weight of 263.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-(3-nitrophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).