1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde

C11H15N3O3 — CID 86658689

IUPAC1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde
SMILESC=CCN(C)c1c(C=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H15N3O3/c1-5-6-12(2)9-8(7-15)10(16)14(4)11(17)13(9)3/h5,7H,1,6H2,2-4H3
InChIKeyRYXQXZPVKHBSRT-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.48
Rot. Bonds4

About 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde

1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde (PubChem CID 86658689) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde
PubChem CID86658689
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde
SMILESC=CCN(C)c1c(C=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H15N3O3/c1-5-6-12(2)9-8(7-15)10(16)14(4)11(17)13(9)3/h5,7H,1,6H2,2-4H3
InChIKeyRYXQXZPVKHBSRT-UHFFFAOYSA-N
XLogP-0.48
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde (CID 86658689) is 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde is C=CCN(C)c1c(C=O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde?
The InChIKey is RYXQXZPVKHBSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-5-6-12(2)9-8(7-15)10(16)14(4)11(17)13(9)3/h5,7H,1,6H2,2-4H3.
What are the key properties of 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde?
1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl(prop-2-enyl)amino]-2,6-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 86658689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).