1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde

C9H12N2O4 — CID 102153766

IUPAC1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde
SMILESCCOCn1c(C)c(C=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-5-11-6(2)7(4-12)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14)
InChIKeyIHWCKUPDDSZMBH-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.35
Rot. Bonds4

About 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde

1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde (PubChem CID 102153766) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde
PubChem CID102153766
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde
SMILESCCOCn1c(C)c(C=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-3-15-5-11-6(2)7(4-12)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14)
InChIKeyIHWCKUPDDSZMBH-UHFFFAOYSA-N
XLogP-0.35
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde (CID 102153766) is 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde is CCOCn1c(C)c(C=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde?
The InChIKey is IHWCKUPDDSZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-15-5-11-6(2)7(4-12)8(13)10-9(11)14/h4H,3,5H2,1-2H3,(H,10,13,14).
What are the key properties of 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde?
1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde has a molecular weight of 212.20 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-6-methyl-2,4-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 102153766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).