3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde

C10H14N2O3 — CID 89063573

IUPAC3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCCCCn1c(C=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-3-4-5-12-8(7-13)6-9(14)11(2)10(12)15/h6-7H,3-5H2,1-2H3
InChIKeyMOHJWSWUFXFSTB-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.16
Rot. Bonds4

About 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde

3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde (PubChem CID 89063573) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde
PubChem CID89063573
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde
SMILESCCCCn1c(C=O)cc(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-3-4-5-12-8(7-13)6-9(14)11(2)10(12)15/h6-7H,3-5H2,1-2H3
InChIKeyMOHJWSWUFXFSTB-UHFFFAOYSA-N
XLogP0.16
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.16
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 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
The IUPAC name of 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde (CID 89063573) is 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde.
What is the SMILES notation for 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
The canonical SMILES for 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde is CCCCn1c(C=O)cc(=O)n(C)c1=O.
What is the InChIKey of 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
The InChIKey is MOHJWSWUFXFSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-5-12-8(7-13)6-9(14)11(2)10(12)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde?
3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carbaldehyde is sourced from PubChem (CID 89063573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).