1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde

C11H16N2O3 — CID 10105026

IUPAC1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c(=O)n1CC(C)C
InChIInChI=1S/C11H16N2O3/c1-7(2)5-13-8(3)9(6-14)10(15)12(4)11(13)16/h6-7H,5H2,1-4H3
InChIKeyZFDCSIFZMOGFPZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.32
Rot. Bonds3

About 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde

1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde (PubChem CID 10105026) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
PubChem CID10105026
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c(=O)n1CC(C)C
InChIInChI=1S/C11H16N2O3/c1-7(2)5-13-8(3)9(6-14)10(15)12(4)11(13)16/h6-7H,5H2,1-4H3
InChIKeyZFDCSIFZMOGFPZ-UHFFFAOYSA-N
XLogP0.32
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.32
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 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde (CID 10105026) is 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde is Cc1c(C=O)c(=O)n(C)c(=O)n1CC(C)C.
What is the InChIKey of 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The InChIKey is ZFDCSIFZMOGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)5-13-8(3)9(6-14)10(15)12(4)11(13)16/h6-7H,5H2,1-4H3.
What are the key properties of 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde?
1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 10105026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).