1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
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Basic information
- CAS
46155-89-9- Standard SMILES
Cn1c(=O)c2[nH]ccc2n(C)c1=O- InChIKey
XLSXPKZIKMPZHK-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.06947654
Names & identifiers
- Preferred name
- 1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
- IUPAC
- 1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
- English name
- 1,3-DiMethyl-1H-pyrrolo[3,2-d]pyriMidine-2,4(3H,5H)-dione
- Molecular formula
- C8H9N3O2
- Molecular weight
- 179.18
Names & synonyms
1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione46155-89-9BRN 07462191H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-1,3-Dimethyl-1H-pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dioneDTXSID901967441,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrrolo(3,2-d)pyrimidine1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-RefChem:240859DTXCID301192351,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dioneMFCD00457572
Show more names
CHEMBL38370SCHEMBL613034XLSXPKZIKMPZHK-UHFFFAOYSA-NBDBM50041596AKOS002676264DS-4647DB-354183CS-0151148
Database identifiers
- CAS
46155-89-9- PubChem CID
- 206249
- DTXSID
DTXSID90196744- ChEMBL
CHEMBL38370- Nikkaji
- J588.755K
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 210 · 210-212 °C(Solv: benzene (71-43-2))
- Boiling point
- 369.6 · 369.6±34.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.73 · 14.73±0.20(Predicted)
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Related reactions
2 records
Compound notes
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