1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde

C9H12N2O3 — CID 118658519

IUPAC1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCCn1c(C=O)cc(=O)n(CC)c1=O
InChIInChI=1S/C9H12N2O3/c1-3-10-7(6-12)5-8(13)11(4-2)9(10)14/h5-6H,3-4H2,1-2H3
InChIKeyHOJNMXKQSGUZAS-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.14
Rot. Bonds3

About 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde

1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde (PubChem CID 118658519) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde
PubChem CID118658519
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCCn1c(C=O)cc(=O)n(CC)c1=O
InChIInChI=1S/C9H12N2O3/c1-3-10-7(6-12)5-8(13)11(4-2)9(10)14/h5-6H,3-4H2,1-2H3
InChIKeyHOJNMXKQSGUZAS-UHFFFAOYSA-N
XLogP-0.14
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
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 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde?
The IUPAC name of 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde (CID 118658519) is 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde.
What is the SMILES notation for 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde?
The canonical SMILES for 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde is CCn1c(C=O)cc(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde?
The InChIKey is HOJNMXKQSGUZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-10-7(6-12)5-8(13)11(4-2)9(10)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde?
1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2,6-dioxopyrimidine-4-carbaldehyde is sourced from PubChem (CID 118658519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).