1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde

C9H12N2O3 — CID 10241771

IUPAC1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
SMILESCCn1c(C)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-4-11-6(2)7(5-12)8(13)10(3)9(11)14/h5H,4H2,1-3H3
InChIKeyXQBJGNOILJEVPX-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.31
Rot. Bonds2

About 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde

1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde (PubChem CID 10241771) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
PubChem CID10241771
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
SMILESCCn1c(C)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-4-11-6(2)7(5-12)8(13)10(3)9(11)14/h5H,4H2,1-3H3
InChIKeyXQBJGNOILJEVPX-UHFFFAOYSA-N
XLogP-0.31
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.31
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-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde (CID 10241771) is 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde is CCn1c(C)c(C=O)c(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
The InChIKey is XQBJGNOILJEVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-11-6(2)7(5-12)8(13)10(3)9(11)14/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde?
1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 10241771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).