1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione

C8H11N3O5 — CID 16757004

IUPAC1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione
SMILESCCOCn1c(C)c([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O5/c1-3-16-4-10-5(2)6(11(14)15)7(12)9-8(10)13/h3-4H2,1-2H3,(H,9,12,13)
InChIKeySRUCJMWMFVPCSC-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.25
Rot. Bonds4

About 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione

1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione (PubChem CID 16757004) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione
PubChem CID16757004
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione
SMILESCCOCn1c(C)c([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O5/c1-3-16-4-10-5(2)6(11(14)15)7(12)9-8(10)13/h3-4H2,1-2H3,(H,9,12,13)
InChIKeySRUCJMWMFVPCSC-UHFFFAOYSA-N
XLogP-0.25
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
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-(ethoxymethyl)-6-hydroxy-5-nitropyrimidine-2,4-dione
CID 15273237
1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde
CID 102153766
6-ethyl-5-nitro-1-phenylpyrimidine-2,4-dione
CID 141029191
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 25102660
3-methoxy-6-methyl-5-nitro-1H-pyrimidine-2,4-dione
CID 87724968
6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 25213476
diethyl 6-methyl-5-nitro-2-oxo-1H-pyridine-3,4-dicarboxylate
CID 19935590
5-nitro-6-propyl-1H-pyrimidine-2,4-dione
CID 134113116
1-(ethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 66573084
5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
CID 10967713
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 19515867

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione (CID 16757004) is 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione is CCOCn1c(C)c([N+](=O)[O-])c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione?
The InChIKey is SRUCJMWMFVPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-3-16-4-10-5(2)6(11(14)15)7(12)9-8(10)13/h3-4H2,1-2H3,(H,9,12,13).
What are the key properties of 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione?
1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione has a molecular weight of 229.19 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-6-methyl-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 16757004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).