6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

HCID 853899

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Basic information

CAS: 41862-09-3
Standard SMILES: CCn1c(N)cc(=O)[nH]c1=O
InChIKey: QHEMDIZENXAVRQ-UHFFFAOYSA-N
Molecular formula: C6H9N3O2
Average molar mass: 155.15 g/mol
Monoisotopic mass: 155.06947654

Names & identifiers

Preferred name: 6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC: 6-amino-1-ethylpyrimidine-2,4-dione
English name: 6-Amino-1-ethyl-1H-pyrimidine-2,4-dione
Molecular formula: C6H9N3O2
Molecular weight: 155.15

Names & synonyms

6-amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:540085667-716-941862-09-36-amino-1-ethylpyrimidine-2,4(1H,3H)-dione6-Amino-1-ethyl-1H-pyrimidine-2,4-dione1-ethyl-6-aminouracil6-amino-1-ethylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 6-amino-1-ethyl-MFCD000919256-amino-1-ethyl-1,3-dihydropyrimidine-2,4-dioneOprea1_846044

Show more names

1 Ethyl 6 aminouracil,1Ethyl6aminouracil6-Amino-1-ethyl-2,4(1H,3H)-pyrimidinedione

SCHEMBL243853orb1298781SCHEMBL1697130CHEMBL4095390DTXSID70357513QHEMDIZENXAVRQ-UHFFFAOYSA-NALBB-021882BBL003826

Database identifiers

CAS: 41862-09-3
PubChem CID: 853899
DTXSID: DTXSID70357513
ChEMBL: CHEMBL4095390
EC Number: 667-716-9

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 234

Physicochemical properties

Melting point: 282 °C · 282 °C (decomp)
Density: 1.261 · 1.261±0.06 g/cm3(Predicted)
pka: 9.23 · 9.23±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications · 1 item

Uses1-Ethyl-6-aminouracil, is an intermediate in the synthesis of a series of new substituted Xanthines which have high affinity and selectivity for the human adenosine A2B receptors, and thus can be used as clinical candidate for chronic inflammatory airway diseases.