5H-Pyrrolo(3,2-d)pyrimidin-4-amine
Basic information
- CAS
2227-98-7- Standard SMILES
Nc1ncnc2cc[nH]c12- InChIKey
YRVFQPBPZCRUDX-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Overview
9-deazaadenine has been reported in Dolichospermum affine with data available.
Names & identifiers
- Preferred name
- 5H-Pyrrolo(3,2-d)pyrimidin-4-amine
- IUPAC
- 5H-pyrrolo[3,2-d]pyrimidin-4-amine
- English name
- 5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI)
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
5H-pyrrolo[3,2-d]pyrimidin-4-amine2227-98-79-DEAZAADENINE5H-Pyrrolo(3,2-d)pyrimidin-4-amineDTXSID50415327RefChem:103579DTXCID00366178972-313-94-Aminopyrrolo[3,2-d]pyrimidineMFCD115208624-AMINO-5H-PYRROLO[3,2-D]PYRIMIDINE5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI)
Show more names
Tenofovir Impurity 1144-AMino-5H-pyrrolo[3,2-d]...5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI, ACI)5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI) ISO 9001：2015 REACH
4-aminopyrrolopyrimidine9DA1H-PYRROLO[3,2-D]PYRIMIDIN-4-AMINESCHEMBL397656SCHEMBL1747899SCHEMBL6396807SCHEMBL29702869YRVFQPBPZCRUDX-UHFFFAOYSA-N
Database identifiers
- CAS
2227-98-7- PubChem CID
- 5287565
- DTXSID
DTXSID50415327- EC Number
- 972-313-9
- Nikkaji
- J1.424.839K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 235 · 235-237 °C
- Boiling point
- 399.8 · 399.8±22.0 °C(Predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 13.84 · 13.84±0.40(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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