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

C8H11N3O3 — CID 13223304

IUPAC1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCNc1c(C=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H11N3O3/c1-9-6-5(4-12)7(13)11(3)8(14)10(6)2/h4,9H,1-3H3
InChIKeyLMOMYYSBGBBWCF-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.06
Rot. Bonds2

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

1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde (PubChem CID 13223304) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde
PubChem CID13223304
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCNc1c(C=O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H11N3O3/c1-9-6-5(4-12)7(13)11(3)8(14)10(6)2/h4,9H,1-3H3
InChIKeyLMOMYYSBGBBWCF-UHFFFAOYSA-N
XLogP-1.06
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-4-(methylamino)-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-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde (CID 13223304) is 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde is CNc1c(C=O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde?
The InChIKey is LMOMYYSBGBBWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-9-6-5(4-12)7(13)11(3)8(14)10(6)2/h4,9H,1-3H3.
What are the key properties of 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde?
1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde has a molecular weight of 197.19 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 13223304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).