6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Basic information
- CAS
54660-80-9- Standard SMILES
Cn1c(N)c(C=O)c(=O)n(C)c1=O- InChIKey
LGXGZORRPBTMAO-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.06439116
Overview
See also: 6-Amino-1,3-dimethyl-5-formyluracil (annotation moved to).
Names & identifiers
- Preferred name
- 6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
- IUPAC
- 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
- English name
- 6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
- Molecular formula
- C7H9N3O3
- Molecular weight
- 183.16
Names & synonyms
6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde54660-80-94-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehydeMFCD000918346-amino-5-formyl-1,3-dimethyluracilF2135-07846-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde5-pyrimidinecarboxaldehyde, 6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-NSC163561SCHEMBL1029816DTXSID40303926LGXGZORRPBTMAO-UHFFFAOYSA-N
Show more names
6-AMINO-1,3-DIMETHYL-5-FORMYLURACIL4-amino-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbaldehyde4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarboxaldehyde4-amino-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbaldehyde6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXALDEHYDE
SMSSF-0017451ALBB-018779SBB090019AKOS000266565AT19393NSC-163561SB56879LS-06167
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 191 · 191-192 °C(Solv: ethanol (64-17-5))
- Boiling point
- 370.9 · 370.9±52.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- 2.96 · 2.96±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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